Structure of PDB 2zwr Chain B Binding Site BS01

Receptor Information
>2zwr Chain B (length=207) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVFPVTLGPLQENAYLVETGEGPVLIDPGDEPEKLLALFQTTGLIPLAI
LLTHAHFDHVGAVAPLVEALDLPVYLHPLDLPLYEGADLAARAWGLAIPK
PPLPVRPLEEGMRLFGFQVLHLPGHSPGHVAFYDPEGAQVFSGDLLFRGS
VGRYDLPGADPKALFASLKRLLSLPPETRVHPGHGPGTTLGLEARTNPFL
TGLEWEA
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 chain2zwr Chain B Residue 208 [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]
PDB2zwr Structure of TTHA1623, a novel metallo-beta-lactamase superfamily protein from Thermus thermophilus HB8
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D58 H59 D144 H184
Binding residue
(residue number reindexed from 1)		D58 H59 D144 H184
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H54 H56 D58 H59
Catalytic site (residue number reindexed from 1) H54 H56 D58 H59
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2zwr, PDBe:2zwr, PDBj:2zwr
PDBsum2zwr
PubMed19407375
UniProtQ5SHV7

[Back to BioLiP]