Structure of PDB 4q32 Chain C Binding Site BS02
Receptor Information
>4q32 Chain C (length=341) Species:
195103
(Clostridium perfringens ATCC 13124) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
ILKTAYTFDDVLLVPNKSEVLPNEVSLKTQLTKKIQLNIPLMSASMDTVT
ESKMAIAMAREGGIGIIHKNMTIEDQAREVDRVKRSGGLLCGASIGVTND
MMERVDAVVKAKVDVIVLDTAHGHSKGVIEGVKRIKAKYPELQVIAGNIA
TPEAVRDLAEAGADCVKVGIGPGSICTTRIVAGVGVPQLTAVMDCAEEGK
KLGIPVIADGGLKYSGDIVKALAAGACAAMMGSIFAGCEEAPGAIEIYQG
RSYKVYRGMGSLGAMAKFVPEGVEGRIAYKGHLADTIYQLIGGIKSGMGY
LGAPTLENLYENANFVVQTSAGFRESHPHDINITKEAPNYS
Ligand information
Ligand ID
IMP
InChI
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
GRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.5
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
ACDLabs 10.04
O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.7.5
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
CACTVS 3.385
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
Formula
C10 H13 N4 O8 P
Name
INOSINIC ACID
ChEMBL
CHEMBL1207374
DrugBank
DB04566
ZINC
ZINC000004228242
PDB chain
4q32 Chain C Residue 500 [
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
4q32
Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and C91
Resolution
2.788 Å
Binding residue
(original residue number in PDB)
M49 G176 S177 I178 C179 D212 G214 M234 G235 S236 Y259 G261 M262 G263 E287
Binding residue
(residue number reindexed from 1)
M46 G173 S174 I175 C176 D209 G211 M231 G232 S233 Y256 G258 M259 G260 E271
Annotation score
4
Enzymatic activity
Enzyme Commision number
1.1.1.205
: IMP dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0003938
IMP dehydrogenase activity
GO:0016491
oxidoreductase activity
Biological Process
GO:0006164
purine nucleotide biosynthetic process
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:4q32
,
PDBe:4q32
,
PDBj:4q32
PDBsum
4q32
PubMed
UniProt
A0A0H2YRZ7
[
Back to BioLiP
]