Structure of PDB 6m7i Chain A

Receptor sequence

>6m7iA (length=267) Species: 573 (Klebsiella pneumoniae)

MLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKG
FLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSA
AAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIP
GDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAA
VPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHS
EAVIAAAARLALEGLGV

3D structure

• PDB: 6m7i Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
• Chain: A
• Resolution: 1.701 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S70 K73 S130 E166 K234 T237
• Catalytic site (residue number reindexed from 1): S46 K49 S106 E142 K210 T213
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

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	J84	A	G255 R256 A257	G230 R231 A232	MOAD: Ki=386uM PDBbind-CN: -logKd/Ki=3.41,Ki=386uM
BS02	J84	A	L167 N170 S171 T237 C238 G239	L143 N146 S147 T213 C214 G215	MOAD: Ki=386uM PDBbind-CN: -logKd/Ki=3.41,Ki=386uM
BS03	J84	A	S70 W105 S130 L167 T235 G236 T237	S46 W81 S106 L143 T211 G212 T213	MOAD: Ki=386uM PDBbind-CN: -logKd/Ki=3.41,Ki=386uM
BS04	J84	A	W105 P107	W81 P83	MOAD: Ki=386uM PDBbind-CN: -logKd/Ki=3.41,Ki=386uM

Gene Ontology

Molecular Function

• GO:0008800 beta-lactamase activity
• GO:0016787 hydrolase activity

Biological Process

• GO:0017001 antibiotic catabolic process
• GO:0030655 beta-lactam antibiotic catabolic process
• GO:0046677 response to antibiotic

External links

• PDB: RCSB:6m7i, PDBe:6m7i, PDBj:6m7i
• PDBsum: 6m7i
• PubMed: 30942078
• UniProt: Q9F663|BLKPC_KLEPN Carbapenem-hydrolyzing beta-lactamase KPC (Gene Name=bla)