Structure of PDB 4c6h Chain A Binding Site BS01

Receptor Information
>4c6h Chain A (length=291) Species: 31989 (Paracoccaceae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTSFRDKKKFATVHGKQMAYIEEGTGDPIVFLHGNPMSSYLWRNIMPHLA
GKGRLIAPDLIGMGDSDKLDNSGPDSYTFAEHCTYLFALLEQLGVTENVT
LVIHDWGSGLGFHWAHTHSDAVKGIAFMEAIVETRESWDAFPERAREMFQ
ALRSPAGEEMVLEKNLFVEALVPGSILRDLTEEEMNEYRRPFANAGEDRR
PTLTFPRQVPIEGQPKDVTELVDAYVDWLGQTSIPKLFINADPGVLITGE
VRDRVRSWPNLTEVTVAGLHFIQEDSPDEIGAAVRDWHASL
Ligand information
Ligand IDHE2
InChIInChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKeyZSIAUFGUXNUGDI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCO
ACDLabs 10.04OCCCCCC
FormulaC6 H14 O
NameHEXAN-1-OL
ChEMBLCHEMBL14085
DrugBank
ZINCZINC000001699882
PDB chain4c6h Chain A Residue 1295 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB4c6h Biochemical and Structural Characterisation of a Haloalkane Dehalogenase from a Marine Rhodobacteraceae.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		D106 I132 F150 V210 L247
Binding residue
(residue number reindexed from 1)		D105 I131 F149 V209 L246
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N36 D106 W107 E130 F142 G245 H271
Catalytic site (residue number reindexed from 1) N35 D105 W106 E129 F141 G244 H270
Enzyme Commision number 3.8.1.5: haloalkane dehalogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0018786 haloalkane dehalogenase activity

View graph for
Molecular Function
External links
PDB RCSB:4c6h, PDBe:4c6h, PDBj:4c6h
PDBsum4c6h
PubMed24613925
UniProtA0A067XG66

[Back to BioLiP]