Structure of PDB 5vfd Chain A

Receptor sequence
>5vfdA (length=244) Species: 470 (Acinetobacter baumannii) [Search protein sequence]
HISSQQHEKAIKSYFDEAQTQGVIIIKEGKNLSTYGNALARANKEYVPAS
TFKMLNALIGLENHKATTNEIFKWDGKKRTYPMWEKDMTLGEAMALSAVP
VYQELARRTGLELMQKEVKRVNFGNTNIGTQVDNFWLVGPLKITPVQEVN
FADDLAHNRLPFKLETQEEVKKMLLIKEVNGSKIYAKSGWGMGVTPQVGW
LTGWVEQANGKKIPFSLNLEMKEGMSGSIRNEITYKSLENLGII
3D structure
PDB5vfd ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
ChainA
Resolution1.93 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S81 K84 S128 Y133 W167 W221
Catalytic site (residue number reindexed from 1) S50 K53 S97 Y102 W136 W190
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 9CP A S81 Y112 W115 S128 V130 S219 G220 W221 R261 S50 Y81 W84 S97 V99 S188 G189 W190 R230
BS02 9CM A Y112 P113 M114 W115 L127 Y81 P82 M83 W84 L96 PDBbind-CN: -logKd/Ki=6.44,IC50=0.36uM
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
Biological Process
GO:0071555 cell wall organization

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Molecular Function
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Biological Process
External links
PDB RCSB:5vfd, PDBe:5vfd, PDBj:5vfd
PDBsum5vfd
PubMed28665414
UniProtQ8RLA6

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