Structure of PDB 5d5q Chain A Binding Site BS01

Receptor Information
>5d5q Chain A (length=157) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VMEEIIKKAFIESINNIRRGDKEEELKKIQEKIVNAKKIVVATNNQKKFK
VIRDIMLRVCNAEIKMLDIDTRFADLTRMPALTKGLIALDIEKADLYIAR
GRLGAPGSGSMLVILDEKGRVLTASLSPSSVIHKEDIEERIKKELIEALS
RIGISIL
Ligand information
Ligand ID57O
InChIInChI=1S/C9H11NO4/c1-4-6(3-7(11)12)10-9(14)5(2)8(4)13/h3H2,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyAVBVBQSPVBVXPJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1c(O)nc(CC(O)=O)c(C)c1O
ACDLabs 12.01Cc1c(O)nc(c(C)c1O)CC(O)=O
OpenEye OEToolkits 1.9.2Cc1c(nc(c(c1O)C)O)CC(=O)O
FormulaC9 H11 N O4
Name(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid
ChEMBL
DrugBank
ZINCZINC000584905103
PDB chain5d5q Chain A Residue 201 [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]
PDB5d5q Towards artificial methanogenesis: biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semi-synthetic hydrogenase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R20 G22 D23
Binding residue
(residue number reindexed from 1)		R18 G20 D21
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5d5q, PDBe:5d5q, PDBj:5d5q
PDBsum5d5q
PubMed28294213
UniProtQ57912|Y488_METJA Uncharacterized protein MJ0488 (Gene Name=MJ0488)

[Back to BioLiP]