T00003
type: Enzyme
cath: Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 1
cath: Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 2
cath: Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 3
ec: https://purl.uniprot.org/enzyme/1.1.1.158
csa: 1mbb
uniprot: P08373
kegg enzyme: UDP-N-acetylmuramate dehydrogenase
kegg enzyme: MurB reductase
kegg enzyme: UDP-N-acetylenolpyruvoylglucosamine reductase
kegg enzyme: UDP-N-acetylglucosamine-enoylpyruvate reductase
kegg enzyme: UDP-GlcNAc-enoylpyruvate reductase
kegg enzyme: uridine diphosphoacetylpyruvoylglucosamine reductase
kegg enzyme: uridine diphospho-N-acetylglucosamine-enolpyruvate reductase
kegg enzyme: uridine-5'-diphospho-N-acetyl-2-amino-2-deoxy-3-O-lactylglucose:NADP-oxidoreductase
kegg pathway: Aminosugars metabolism
kegg cofactor: FAD
kegg substrate: UDP-N-acetylmuramate
kegg substrate: NADP+
kegg product: UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine
kegg product: NADPH
pdb: 1mbbA01
pdb: 1mbrA01
pdb: 1mbtA01
pdb: 1uxyA01
pdb: 2mbrA01
pdb: 1mbbA02
pdb: 1mbrA02
pdb: 1mbtA02
pdb: 1uxyA02
pdb: 2mbrA02
pdb: 1mbbA03
pdb: 1mbrA03
pdb: 1mbtA03
pdb: 1uxyA03
pdb: 2mbrA03
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1mbbA01
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1mbrA01
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1mbtA01
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1uxyA01
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 2mbrA01
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1mbbA02
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1mbrA02
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1mbtA02
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1uxyA02
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 2mbrA02
pdb bound state: Analogue
  compound: UDP-N-acetylmuramate
  pdb: 1mbbA03
  ligand het code: EEB
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1mbrA03
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1mbtA03
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 1uxyA03
pdb bound state: Unbound
  compound: UDP-N-acetylmuramate
  pdb: 2mbrA03
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbbA01
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbrA01
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbtA01
pdb bound state: Unbound
  compound: NADP+
  pdb: 1uxyA01
pdb bound state: Unbound
  compound: NADP+
  pdb: 2mbrA01
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbbA02
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbrA02
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbtA02
pdb bound state: Unbound
  compound: NADP+
  pdb: 1uxyA02
pdb bound state: Unbound
  compound: NADP+
  pdb: 2mbrA02
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbbA03
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbrA03
pdb bound state: Unbound
  compound: NADP+
  pdb: 1mbtA03
pdb bound state: Unbound
  compound: NADP+
  pdb: 1uxyA03
pdb bound state: Unbound
  compound: NADP+
  pdb: 2mbrA03
pdb bound state: Unbound
  compound: FAD
  pdb: 1mbbA01
pdb bound state: Unbound
  compound: FAD
  pdb: 1mbrA01
pdb bound state: Unbound
  compound: FAD
  pdb: 1mbtA01
pdb bound state: Unbound
  compound: FAD
  pdb: 1uxyA01
active site residues resources: 1uxy
references: Overexpression, purification, and mechanistic study of UDP-N-acetylenolpyruvylglucosamine reductase.
references: Crystallization and preliminary X-ray crystallographic studies of UDP-N-acetylenolpyruvylglucosamine reductase.
references: An enzyme-substrate complex involved in bacterial cell wall biosynthesis.
references: (E)-enolbutyryl-UDP-N-acetylglucosamine as a mechanistic probe of UDP-N-acetylenolpyruvylglucosamine reductase (MurB).
references: Localizing the NADP+ binding site on the MurB enzyme by NMR.
references: The structure of the substrate-free form of MurB, an essential enzyme for the synthesis of bacterial cell walls.
references: X-ray crystal structures of the S229A mutant and wild-type MurB in the presence of the substrate enolpyruvyl-UDP-N-acetylglucosamine at 1.8-A resolution.
references: Kinetic characterization of wild-type and S229A mutant MurB: evidence for the role of Ser 229 as a general acid.
references: Characterization of NADP+ binding to perdeuterated MurB: backbone atom NMR assignments and chemical-shift changes.

Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 1
type: Cath
references: http://www.cathdb.info/version/latest/superfamily/3.90.78.10
catalytic domain: index.html

Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 2
type: Cath
references: http://www.cathdb.info/version/latest/superfamily/3.30.43.10

Uridine Diphospho-n-acetylenolpyruvylglucosamine Reductase; domain 3
type: Cath
references: http://www.cathdb.info/version/latest/superfamily/3.30.465.10
catalytic domain: index.html

Aminosugars metabolism
type: KeggPathway
references: KEGG:MAP00530

FAD
type: KeggCofactor
references: KEGG:C00016
compound type: amide group
compound type: amine group
compound type: aromatic ring (only carbon atom)
compound type: aromatic ring (with nitrogen atoms)
compound type: carbohydrate
compound type: nucleotide
references: CHEBI:16238
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

UDP-N-acetylmuramate
type: KeggSubstrate
references: KEGG:C01050
compound type: amide group
compound type: carbohydrate
compound type: carboxyl group
compound type: nucleotide
references: CHEBI:70765
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

NADP+
type: KeggSubstrate
references: KEGG:C00006
compound type: amide group
compound type: amine group
compound type: nucleotide
references: CHEBI:18009
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine
type: KeggProduct
references: KEGG:C04631
compound type: amide group
compound type: carbohydrate
compound type: carboxyl group
compound type: nucleotide
references: CHEBI:68507
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

NADPH
type: KeggProduct
references: KEGG:C00005
compound type: amide group
compound type: amine group
compound type: nucleotide
references: CHEBI:16474
references: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi

1mbbA01
type: Pdb
references: 1mbb
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1mbb
catalytic residue: SER 229;GLU 325

1mbrA01
type: Pdb
references: 1mbr
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1mbr
catalytic residue: SER 229;GLU 325

1mbtA01
type: Pdb
references: 1mbt
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1mbt
catalytic residue: SER 229;GLU 325

1uxyA01
type: Pdb
references: 1uxy
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1uxy
catalytic residue: ;GLU 325
comment: mutant S299A

2mbrA01
type: Pdb
references: 2mbr
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:2mbr
catalytic residue: SER 229;GLU 325

1mbbA03
type: Pdb
references: 1mbb
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1mbb
catalytic residue: ARG 159

1mbrA03
type: Pdb
references: 1mbr
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1mbr
catalytic residue: ARG 159

1mbtA03
type: Pdb
references: 1mbt
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1mbt
catalytic residue: ARG 159

1uxyA03
type: Pdb
references: 1uxy
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:1uxy
catalytic residue: ARG 159

2mbrA03
type: Pdb
references: 2mbr
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: PDB:2mbr
catalytic residue: ARG 159

Overexpression, purification, and mechanistic study of UDP-N-acetylenolpyruvylglucosamine reductase.
type: BibliographicResource
comment: CHARACTERIZATION.
medline id: 93192262
references: http://www.ncbi.nlm.nih.gov/pubmed/8448160
journal: Biochemistry
volume: 32
pages: 2024-30
published year: 1993
authors:
  item: Benson TE
  item: Marquardt JL
  item: Marquardt AC
  item: Etzkorn FA
  item: Walsh CT
references: P08373

Crystallization and preliminary X-ray crystallographic studies of UDP-N-acetylenolpyruvylglucosamine reductase.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/7920261
journal: Protein Sci
volume: 3
pages: 1125-7
published year: 1994
authors:
  item: Benson TE
  item: Walsh CT
  item: Hogle JM

An enzyme-substrate complex involved in bacterial cell wall biosynthesis.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/7552726
journal: Nat Struct Biol
volume: 2
pages: 644-53
published year: 1995
authors:
  item: Benson TE
  item: Filman DJ
  item: Walsh CT
  item: Hogle JM

(E)-enolbutyryl-UDP-N-acetylglucosamine as a mechanistic probe of UDP-N-acetylenolpyruvylglucosamine reductase (MurB).
type: BibliographicResource
comment: X-ray crystallography
references: http://www.ncbi.nlm.nih.gov/pubmed/8634262
journal: Biochemistry
volume: 35
pages: 1342-51
published year: 1996
authors:
  item: Lees WJ
  item: Benson TE
  item: Hogle JM
  item: Walsh CT
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl

Localizing the NADP+ binding site on the MurB enzyme by NMR.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/8946851
journal: Nat Struct Biol
volume: 3
pages: 995-7
published year: 1996
authors:
  item: Farmer BT 2nd
  item: Constantine KL
  item: Goldfarb V
  item: Friedrichs MS
  item: Wittekind M
  item: Yanchunas J Jr
  item: Robertson JG
  item: Mueller L

The structure of the substrate-free form of MurB, an essential enzyme for the synthesis of bacterial cell walls.
type: BibliographicResource
comment: X-RAY CRYSTALLOGRAPHY (3.0 ANGSTROMS).
medline id: 96419135
references: http://www.ncbi.nlm.nih.gov/pubmed/8805513
journal: Structure
volume: 4
pages: 47-54
published year: 1996
authors:
  item: Benson TE
  item: Walsh CT
  item: Hogle JM
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: P08373

X-ray crystal structures of the S229A mutant and wild-type MurB in the presence of the substrate enolpyruvyl-UDP-N-acetylglucosamine at 1.8-A resolution.
type: BibliographicResource
comment: X-RAY CRYSTALLOGRAPHY (1.8 ANGSTROMS).
medline id: 97172910
references: http://www.ncbi.nlm.nih.gov/pubmed/9020778
journal: Biochemistry
volume: 36
pages: 806-11
published year: 1997
authors:
  item: Benson TE
  item: Walsh CT
  item: Hogle JM
references: http://www.ebi.ac.uk/thornton-srv/databases/cgi-bin/pdbsum/GetPage.pl
references: P08373

Kinetic characterization of wild-type and S229A mutant MurB: evidence for the role of Ser 229 as a general acid.
type: BibliographicResource
references: http://www.ncbi.nlm.nih.gov/pubmed/9020777
journal: Biochemistry
volume: 36
pages: 796-805
published year: 1997
authors:
  item: Benson TE
  item: Walsh CT
  item: Massey V

Characterization of NADP+ binding to perdeuterated MurB: backbone atom NMR assignments and chemical-shift changes.
type: BibliographicResource
comment: STRUCTURE BY NMR.
medline id: 97294652
references: http://www.ncbi.nlm.nih.gov/pubmed/9150408
journal: J Mol Biol
volume: 267
pages: 1223-46
published year: 1997
authors:
  item: Constantine KL
  item: Mueller L
  item: Goldfarb V
  item: Wittekind M
  item: Metzler WJ
  item: Yanchunas J Jr
  item: Robertson JG
  item: Malley MF
  item: Friedrichs MS
  item: Farmer BT 2nd
references: P08373

ReferenceForCatalyticMechanism
reference index: 1
reference section: Scheme II, p.2029-2030
reference step: 3

ReferenceForCatalyticMechanism
reference index: 3
reference section: Fig.6, p.650-651
reference step: 2

ReferenceForCatalyticMechanism
reference index: 4
reference section: Fig.2, Fig.10, Fig.11, p.1350

ReferenceForCatalyticMechanism
reference index: 6
reference section: Fig.1

ReferenceForCatalyticMechanism
reference index: 8
reference section: Fig.2, Fig3, Fig.10, p.804