Structure of PDB 5w90 Chain A Binding Site BS01

Receptor Information
>5w90 Chain A (length=263) Species: 464 (Fluoribacter gormanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYPMPNPFPPFRIAGNLYYVGTDDLASYLIVTPRGNILINSDLEANVPMI
KASIKKLGFKFSDTKILLISHAHFDHAAGSELIKQQTKAKYMVMDEDVSV
ILSGGKSDFHYANDSSTYFTQSTVDKVLHDGERVELGGTVLTAHLTPGHT
RGCTTWTMKLKDHGKQYQAVIIGSIGVNPGYKLVDNITYPKIAEDYKHSI
KVLESMRCDIFLGSHAGMFDLKNKYVLLSKGQNNPFVDPTGCKNYIEQKA
NDFYTELKKQETG
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 chain5w90 Chain A Residue 301 [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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PDB5w90 Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		D94 H95 H234
Binding residue
(residue number reindexed from 1)		D75 H76 H215
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H90 H92 D94 H95 H168 Y200 H234
Catalytic site (residue number reindexed from 1) H71 H73 D75 H76 H149 Y181 H215
Enzyme Commision number 3.5.2.6: beta-lactamase.
External links