Structure of PDB 4gk8 Chain A Binding Site BS05

Receptor Information
>4gk8 Chain A (length=263) Species: 272623 (Lactococcus lactis subsp. lactis Il1403) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLKKLDYHFHSHFSADSEELPRKHVTEAIAHGLEEICFTEHRDFYFPGMD
FSLNLPEYFQEINQLQAEFKDKIKIKIGLEMGIDLRFKSEINQFIDSAPF
DFVIASVHEIGDIEVYDGTEFYLQKTKEEAQREYLLACLDVVQNFENYNS
FGHLDYVARYGPYTDKSIKFAENREILFEILRALASKEKALEINTRLFDD
PKTEQFYSDLLINFKRLGGKFITLGTDSHIAKRDWLSIHKARTLIKKAGF
HELATFSGMKIDK
Ligand information
Ligand IDGK8
InChIInChI=1S/C6H14AsN3O4/c8-5(3-14-7(11,12)13)1-6-2-9-4-10-6/h2,4-5,7,11-13H,1,3,8H2,(H,9,10)/t5-/m0/s1
InChIKeyULOXOLOOGPGSSX-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c([nH]cn1)CC(CO[As](O)(O)O)N
CACTVS 3.370N[CH](CO[As](O)(O)O)Cc1[nH]cnc1
ACDLabs 12.01n1cc(nc1)CC(N)CO[As](O)(O)O
OpenEye OEToolkits 1.7.6c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N
CACTVS 3.370N[C@H](CO[As](O)(O)O)Cc1[nH]cnc1
FormulaC6 H13 As N3 O4
Name{[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl
ChEMBL
DrugBank
ZINC
PDB chain4gk8 Chain A Residue 305 [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]
PDB4gk8 Structural and Mechanistic Characterization of l-Histidinol Phosphate Phosphatase from the Polymerase and Histidinol Phosphatase Family of Proteins.
Resolution1.933 Å
Binding residue
(original residue number in PDB)		H11 D17 H42 H109 E115 Y157 R160 D228 H230
Binding residue
(residue number reindexed from 1)		H10 D16 H41 H108 E114 Y156 R159 D227 H229
Annotation score3
Enzymatic activity
Enzyme Commision number 3.1.3.15: histidinol-phosphatase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004401 histidinol-phosphatase activity
GO:0016787 hydrolase activity
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4gk8, PDBe:4gk8, PDBj:4gk8
PDBsum4gk8
PubMed23327428
UniProtQ02150|HIS9_LACLA Histidinol-phosphatase (Gene Name=hisK)

[Back to BioLiP]