Structure of PDB 4mz1 Chain C Binding Site BS02
Receptor Information
>4mz1 Chain C (length=361) Species:
192222
(Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
MKIVKRALTFEDVLLRPGYSEVLPKEVKIHTKLTKNITLNMPLISAAMDT
VTEHRAAIMMARLGGLGVIHKNMDIASQVREVKRVKKSESGGIKKRKEYP
DANKDNFGRLRVGAAIGVGQMDRVDALVEAGVDVVVLDSAHGHSKGIIDT
VKAIKAKYPNLDLIAGNIATAAAAKALCEAGVDAVKVGIGPGSICTTRIV
SGVGVPQISAIDECVEEANKFGVPVIADGGIKYSGDIAKALAVGASSVMI
GSLLAGTDESPGELFTYQGRQYKSYRGMGSLGAMQKLVPEGIEGRVPYVG
SIRSVVHQLLGGLRSSMGYVGAKDIEDFQKRAEFVEITTAGLKESHVHDV
TITHEAPNYKV
Ligand information
Ligand ID
2F1
InChI
InChI=1S/C19H21BrN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23)
InChIKey
UILINQCNOUGMOK-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Br)cc2
ACDLabs 12.01
Brc2ccc(NC(=O)NC(c1cccc(/C(=C)C)c1)(C)C)cc2
OpenEye OEToolkits 1.7.6
CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br
Formula
C19 H21 Br N2 O
Name
1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
ChEMBL
CHEMBL2178647
DrugBank
ZINC
PDB chain
4mz1 Chain C Residue 503 [
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
4mz1
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound P12
Resolution
2.3991 Å
Binding residue
(original residue number in PDB)
A246 H247 M384 G385 E411
Binding residue
(residue number reindexed from 1)
A140 H141 M278 G279 E290
Annotation score
1
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:4mz1
,
PDBe:4mz1
,
PDBj:4mz1
PDBsum
4mz1
PubMed
UniProt
Q0P9J4
[
Back to BioLiP
]