Structure of PDB 1qe3 Chain A Binding Site BS01

Receptor Information
>1qe3 Chain A (length=467) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THQIVTTQYGKVKGTTENGVHKWKGIPYAKPPVGQWRFKAPEPPEVWEDV
LDATAYGPICPQPSLPRQSEDCLYVNVFAPDTPSQNLPVMVWIHGGAFYL
GAGSEPLYDGSKLAAQGEVIVVTLNYRLGPFGFLHLSSFDEAYSDNLGLL
DQAAALKWVRENISAFGGDPDNVTVFGESAGGMSIAALLAMPAAKGLFQK
AIMESGASRTMTKEQAASTAAAFLQVLGINESQLDRLHTVAAEDLLKAAD
QLRIAEKENIFQLFFQPALDPKTLPEEPEKSIAEGAASGIPLLIGTTRDE
GYLFFTPDSDVHSQETLDAALEYLLGKPLAEKAADLYPRSLESQIHMMTD
LLFWRPAVAYASAQSHYAPVWMYRFDWHPEKPPYNKAFHALELPFVFGNL
DGLITDEVKQLSHTIQSAWITFAKTGNPSTEAVNWPAYHEETRETVILDS
EITIENDPESEKRQKLF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1qe3 Chain A Residue 500 [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]
PDB1qe3 A structural view of evolutionary divergence.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		T2 H3
Binding residue
(residue number reindexed from 1)		T1 H2
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G106 A107 G139 S189 A190 L273 F275 E310 H399
Catalytic site (residue number reindexed from 1) G96 A97 G129 S179 A180 L263 F265 E300 H389
Enzyme Commision number 3.1.1.-
Gene Ontology
Molecular Function
GO:0004104 cholinesterase activity
GO:0052689 carboxylic ester hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:1qe3, PDBe:1qe3, PDBj:1qe3
PDBsum1qe3
PubMed10535917
UniProtP37967|PNBA_BACSU Para-nitrobenzyl esterase (Gene Name=pnbA)

[Back to BioLiP]