Structure of PDB 2zzi Chain A Binding Site BS01

Receptor Information
>2zzi Chain A (length=198) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFPVTLGPLQENAYLVETGEGPVLIDPGDEPEKLLALFQTTGLIPLAILL
THAHFDHVGAVAPLVEALDLPVYLHPLDLPLYEGADLAARAWGLAIPKPP
LPVRPLEEGMRLFGFQVLHLPGHSPGHVAFYDPEGAQVFSGDLLFRGSVG
RYDLPGADPKALFASLKRLLSLPPETRVHPGHGPGTTLGLEARTNPFL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2zzi Chain A Residue 208 [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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PDB2zzi Structure of TTHA1623, a novel metallo-beta-lactamase superfamily protein from Thermus thermophilus HB8
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H54 H56 H59 H125 D144
Binding residue
(residue number reindexed from 1)		H52 H54 H57 H123 D142
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H54 H56 D58 H59
Catalytic site (residue number reindexed from 1) H52 H54 D56 H57
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2zzi, PDBe:2zzi, PDBj:2zzi
PDBsum2zzi
PubMed19407375
UniProtQ5SHV7

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