Structure of PDB 7oqm Chain B Binding Site BS02
Receptor Information
>7oqm Chain B (length=256) Species:
9606
(Homo sapiens) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
ELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADAL
GPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVK
KQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSS
TGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEA
GGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEA
YLSRLG
Ligand information
Ligand ID
U
InChI
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
DJJCXFVJDGTHFX-XVFCMESISA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
Formula
C9 H13 N2 O9 P
Name
URIDINE-5'-MONOPHOSPHATE
ChEMBL
CHEMBL214393
DrugBank
DB03685
ZINC
ZINC000002123545
PDB chain
7oqm Chain A Residue 505 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure 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
]
PDB
7oqm
Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Resolution
1.05 Å
Binding residue
(original residue number in PDB)
D317 I318 T321
Binding residue
(residue number reindexed from 1)
D94 I95 T98
Annotation score
3
Enzymatic activity
Enzyme Commision number
2.4.2.10
: orotate phosphoribosyltransferase.
4.1.1.23
: orotidine-5'-phosphate decarboxylase.
Gene Ontology
Molecular Function
GO:0004590
orotidine-5'-phosphate decarboxylase activity
Biological Process
GO:0006207
'de novo' pyrimidine nucleobase biosynthetic process
GO:0044205
'de novo' UMP biosynthetic process
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:7oqm
,
PDBe:7oqm
,
PDBj:7oqm
PDBsum
7oqm
PubMed
UniProt
P11172
|UMPS_HUMAN Uridine 5'-monophosphate synthase (Gene Name=UMPS)
[
Back to BioLiP
]