Structure of PDB 1jt1 Chain A Binding Site BS01

Receptor Information
>1jt1 Chain A (length=262) Species: 464 (Fluoribacter gormanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPMPNPFPPFRIAGNLYYVGTDDLASYLIVTPRGNILINSDLEANVPMIK
ASIKKLGFKFSDTKILLISHAHFDHAAGSELIKQQTKAKYMVMDEDVSVI
LSGGKSDFHYANDSSTYFTQSTVDKVLHDGERVELGGTVLTAHLTPGHTR
GCTTWTMKLKDHGKQYQAVIIGSIGVNPGYKLVDNITYPKIAEDYKHSIK
VLESMRCDIFLGSHAGMFDLKNKYVLLSKGQNNPFVDPTGCKNYIEQKAN
DFYTELKKQETG
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 chain1jt1 Chain A Residue 400 [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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PDB1jt1 Three-dimensional Structure of FEZ-1, a Monomeric Subclass B3 Metallo-[beta]-lactamase from Fluoribacter gormanii, in Native Form and in Complex with -Captopril
Resolution1.78 Å
Binding residue
(original residue number in PDB)		D120 H121 H263
Binding residue
(residue number reindexed from 1)		D74 H75 H214
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H116 H118 D120 H121 H196 Y228 H263
Catalytic site (residue number reindexed from 1) H70 H72 D74 H75 H148 Y180 H214
Enzyme Commision number 3.5.2.6: beta-lactamase.
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