Structure of PDB 3ow5 Chain A Binding Site BS02
Receptor Information
>3ow5 Chain A (length=205) Species:
2210
(Methanosarcina thermophila) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
SNIRENPVTPWNPEPSAPVIDPTAYIDPQASVIGEVTIGANVMVSPMASI
RSDEGMPIFVGDRSNVQDGVVLHALETINEEGEPIEDNIVEVDGKEYAVY
IGNNVSLAHQSQVHGPAAVGDDTFIGMQAFVFKSKVGNNCVLEPRSAAIG
VTIPDGRYIPAGMVVTSQAEADKLPEVTDDYAYSHTNEAVVAVNVHLAEG
YKETS
Ligand information
Ligand ID
BCT
InChI
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKey
BVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(=O)(O)[O-]
CACTVS 3.341
OC([O-])=O
ACDLabs 10.04
[O-]C(=O)O
Formula
C H O3
Name
BICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain
3ow5 Chain A Residue 301 [
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
3ow5
Crystal structure of the Y200A mutant of Methanosarcina thermophila
Resolution
1.801 Å
Binding residue
(original residue number in PDB)
H81 A82 H122
Binding residue
(residue number reindexed from 1)
H73 A74 H114
Annotation score
5
Binding affinity
BindingDB: Ki=42000000nM
Enzymatic activity
Catalytic site (original residue number in PDB)
E62 Q75 H81 E84 H117 H122 N202
Catalytic site (residue number reindexed from 1)
E54 Q67 H73 E76 H109 H114 N194
Enzyme Commision number
4.2.1.1
: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089
carbonate dehydratase activity
GO:0008270
zinc ion binding
GO:0016829
lyase activity
GO:0043199
sulfate binding
GO:0046872
metal ion binding
GO:0050897
cobalt ion binding
GO:0071890
bicarbonate binding
Cellular Component
GO:0005576
extracellular region
View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB
RCSB:3ow5
,
PDBe:3ow5
,
PDBj:3ow5
PDBsum
3ow5
PubMed
UniProt
P40881
|CAH_METTT Carbonic anhydrase (Gene Name=MSTHT_0588)
[
Back to BioLiP
]