Structure of PDB 1llu Chain F Binding Site BS01

Receptor Information
>1llu Chain F (length=341) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLPQTMKAAVVHAYGAPLRIEEVKVPLPGPGQVLVKIEASGVCHTDLHAA
EGDWPVKPPLPFIPGHEGVGYVAAVGSGVTRVKEGDRVGIPWLYTACGCC
EHCLTGWETLCESQQNTGYSVNGGYAEYVLADPNYVGILPKNVEFAEIAP
ILCAGVTVYKGLKQTNARPGQWVAISGIGGLGHVAVQYARAMGLHVAAID
IDDAKLELARKLGASLTVNARQEDPVEAIQRDIGGAHGVLVTAVSNSAFG
QAIGMARRGGTIALVGLPPGDFPTPIFDVVLKGLHIAGSIVGTRADLQEA
LDFAGEGLVKATIHPGKLDDINQILDQMRAGQIEGRIVLEM
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 chain1llu Chain F Residue 343 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1llu The ternary complex of Pseudomonas aeruginosa alcohol dehydrogenase with NADH and ethylene glycol.
Resolution2.3 Å
Binding residue
(original residue number in PDB)
C44 H67 C154
Binding residue
(residue number reindexed from 1)
C43 H66 C153
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C44 H45 T46 H49 H67 E68 C98 C101 C104 C112 Q116 C154 T158 R337
Catalytic site (residue number reindexed from 1) C43 H44 T45 H48 H66 E67 C97 C100 C103 C111 Q115 C153 T157 R336
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1llu, PDBe:1llu, PDBj:1llu
PDBsum1llu
PubMed15152088
UniProtQ9HTD9

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