Structure of PDB 4e7b Chain A Binding Site BS01
Receptor Information
>4e7b Chain A (length=419) Species:
716541
(Enterobacter cloacae subsp. cloacae ATCC 13047) [
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MDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDI
DTTMKLLTQLGTKVERDGSVWIDASNVNNFSAPYDLVKTMRASIWALGPL
VARFGQGQVSLPGGCAIGARPVDLHIFGLEKLGAEIKLEEGYVKASVNGR
LKGAHIVMDKVSVGATVTIMSAATLAEGTTIIENAAREPEIVDTANFLVA
LGAKISGQGTDRITIEGVERLGGGVYRVLPDRIETGTFLVAAAISGGKIV
CRNAQPDTLDAVLAKLREAGADIETGEDWISLDMHGKRPKAVTVRTAPHP
AFPTDMQAQFTLLNLVAEGTGVITETIFENRFMHVPELIRMGAHAEIESN
TVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYE
RIEDKLRALGANIERVKGE
Ligand information
Ligand ID
UPG
InChI
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKey
HSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
Software
SMILES
CACTVS 3.370
OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01
O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370
OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
Formula
C15 H24 N2 O17 P2
Name
URIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBL
CHEMBL375951
DrugBank
DB01861
ZINC
ZINC000008215472
PDB chain
4e7b Chain A Residue 513 [
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Receptor-Ligand Complex Structure
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PDB
4e7b
Open-close transition of MurA
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
P121 V122 D123 L124 S162 V163 G164 D305
Binding residue
(residue number reindexed from 1)
P121 V122 D123 L124 S162 V163 G164 D305
Annotation score
3
Enzymatic activity
Catalytic site (original residue number in PDB)
K22 N23 D49 R91 C115 R120 D305 H334 L370 R371 R397
Catalytic site (residue number reindexed from 1)
K22 N23 D49 R91 C115 R120 D305 H334 L370 R371 R397
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
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:4e7b
,
PDBe:4e7b
,
PDBj:4e7b
PDBsum
4e7b
PubMed
UniProt
P33038
|MURA_ENTCC UDP-N-acetylglucosamine 1-carboxyvinyltransferase (Gene Name=murA)
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