Structure of PDB 4r7u Chain B Binding Site BS02

Receptor Information
>4r7u Chain B (length=418) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEKFRVIGSTQPLQGEVTISGAKNAALPILFASILAEEPVEVANVPHLRD
IDTTMELLERLGAKVERNGSVHVDAGPINQYCAPYDLVKTMRASIWALGP
LVARFGQGQVSLPGGCAIGARPVDLHIHGLEQLGATITLEDGYVKAHVDG
RLQGAHIVMDKVSVGATITIMCAATLAEGTTVLDNAAREPEIVDTAMFLN
KLGAKISGAGTDSITIEGVERLGGGKHAVVPDRIETGTFLVAAAVSRGKI
VCRNTHAHLLEAVLAKLEEAGAEIECGEDWISLDMTGRELKAVTVRTAPH
PGFPTDMQAQFTLLNMMAKGGGVITETIFENRFMHVPELKRMGAKAEIEG
NTVICGDVDRLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGY
ERIEDKLSALGANIERFR
Ligand information
Ligand IDFFQ
InChIInChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
InChIKeyMVIJUJBSAAUHEM-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC(O)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(O)CC
OpenEye OEToolkits 1.7.6CC[C@H](O)P(=O)(O)O
CACTVS 3.370CC[CH](O)[P](O)(O)=O
CACTVS 3.370CC[C@H](O)[P](O)(O)=O
FormulaC3 H9 O4 P
Name[(1R)-1-hydroxypropyl]phosphonic acid;
Fosfomycin, bound form
ChEMBL
DrugBank
ZINC
PDB chain4r7u Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4r7u Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Vibrio cholerae in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin
Resolution2.45 Å
Binding residue
(original residue number in PDB)		M91 R92 C116 R398
Binding residue
(residue number reindexed from 1)		M91 R92 C116 R398
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K23 N24 D50 A93 C116 R121 D306 I328 R398
Catalytic site (residue number reindexed from 1) K23 N24 D50 A93 C116 R121 D306 I328 R398
Enzyme Commision number 2.5.1.7: UDP-N-acetylglucosamine 1-carboxyvinyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008760 UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0019277 UDP-N-acetylgalactosamine biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4r7u, PDBe:4r7u, PDBj:4r7u
PDBsum4r7u
PubMed
UniProtQ9KP62|MURA_VIBCH UDP-N-acetylglucosamine 1-carboxyvinyltransferase (Gene Name=murA)

[Back to BioLiP]