Structure of PDB 7zg8 Chain BBB Binding Site BS01

Receptor Information
>7zg8 Chain BBB (length=504) Species: 575584 (Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPLPPARGYIYDRNGVLLADNYPVFTATLSKADVENVDTVIEQLQPILEL
TQEDVDRVAIKLNLTETNIAKFSEVKYKFPGVRIETQMTRYYPHGDLFAH
VIGYVGRINDKELKSIDKDLYAGTNLIGKIGVEKSYEDLLHGTPGYERKD
PTRGNDLYLSLDYGLQVVASQQLAGRRGAIVAIDPRTGEILALVSSPSFN
PNLFVTGINHKDYSSLRDNIDQPLYNRAVQGVYPPGSTIKPMEAMGGLHY
GIVDWATAISDPGYFFRDWKKTGHGIVNMHKAIIMSCDTYFYILANQMGI
DQMNQWMRQFGFGQKTGVDLPSESEGLYPNPEWKMRTRKSKWMKGETISV
SIGQGAFTATPLQLAMATAITANHGSHVVPHVLRATHGAKPFTVRNAPDG
KINFNGTDEDWVKMREAMIDVIQSGTGRGIRTPLYQIAGKTGTAQVSERQ
LDHGLFVGFAPADKPEIAIAVIWENGRHGGSAAQLAKPVFDYWLLTRKKN
PIRP
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 chain7zg8 Chain BBB Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zg8 A conserved zinc-binding site in Acinetobacter baumannii PBP2 required for elongasome-directed bacterial cell shape.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		D350 D365 H371 C384
Binding residue
(residue number reindexed from 1)		D261 D268 H274 C287
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0008658 penicillin binding
GO:0009002 serine-type D-Ala-D-Ala carboxypeptidase activity
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
GO:0071972 peptidoglycan L,D-transpeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zg8, PDBe:7zg8, PDBj:7zg8
PDBsum7zg8
PubMed36787358
UniProtD0C8Z9

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