Structure of PDB 6cqs Chain A Binding Site BS02

Receptor Information
>6cqs Chain A (length=242) Species: 573413 (Sediminispirochaeta smaragdinae DSM 11293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPVIRLNDELEVREILPNAFVITHKFPWGGNSLVVLIGEKYAVFVDTPYT
PEATENVLDWINKQYGNRQFIEINTGYHVDNLGGNDALLHRNIPIIGSDK
TVSLLRERGEATRQLTMGWLEGPGNEKFLKRHETIPYVGPSQIFQLTEGY
HFTVGDEPIEVFFPGETHAPDNIVVYFPERKILFGGCMLRVGNGTGNRAD
ANMDTWKSSVERLRDFDCVAVIPGHGIRFDPGVIENTISVLP
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 chain6cqs Chain A Residue 502 [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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PDB6cqs A Noncanonical Metal Center Drives the Activity of the Sediminispirochaeta smaragdinae Metallo-beta-lactamase SPS-1.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D100 C207 H245
Binding residue
(residue number reindexed from 1)		D80 C187 H225
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G96 H98 D100 H188 C207 R210 N217 H245
Catalytic site (residue number reindexed from 1) G76 H78 D80 H168 C187 R190 N197 H225
Enzyme Commision number 3.5.2.6: beta-lactamase.
External links