Structure of PDB 4c4z Chain B Binding Site BS01
Receptor Information
>4c4z Chain B (length=318) Species:
9606
(Homo sapiens) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
TSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIP
ALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQA
VFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANP
VFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLF
VNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKS
LGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMD
KPTEVNQILIKWLDSDAR
Ligand information
Ligand ID
W9L
InChI
InChI=1S/C13H14N2O/c1-2-14-13(16)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,14,15,16)
InChIKey
SMNYGFHWZXVHCR-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
CCNC(=O)Nc1cccc2c1cccc2
CACTVS 3.385
CCNC(=O)Nc1cccc2ccccc12
ACDLabs 12.01
O=C(NCC)Nc2cccc1ccccc12
Formula
C13 H14 N2 O
Name
1-ethyl-3-naphthalen-1-ylurea
ChEMBL
DrugBank
ZINC
ZINC000000395065
PDB chain
4c4z Chain B Residue 1548 [
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
4c4z
A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Resolution
2.06 Å
Binding residue
(original residue number in PDB)
F267 D335 Y383 Y466 V498 H524
Binding residue
(residue number reindexed from 1)
F38 D106 Y154 Y237 V269 H295
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
F267 H334 D335 W336 N359 N378 Y383 Y466 D496 H524
Catalytic site (residue number reindexed from 1)
F38 H105 D106 W107 N130 N149 Y154 Y237 D267 H295
Enzyme Commision number
3.1.3.76
: lipid-phosphate phosphatase.
3.3.2.10
: soluble epoxide hydrolase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
View graph for
Molecular Function
External links
PDB
RCSB:4c4z
,
PDBe:4c4z
,
PDBj:4c4z
PDBsum
4c4z
PubMed
25877959
UniProt
P34913
|HYES_HUMAN Bifunctional epoxide hydrolase 2 (Gene Name=EPHX2)
[
Back to BioLiP
]