Structure of PDB 3mke Chain A

Receptor sequence

>3mkeA (length=265) Species: 573 (Klebsiella pneumoniae)

SPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADERFPMMSTFKVV
LCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCAA
AITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWETELNEALPG
DARDTTTPASMAATLRKLLTSQRLSARSQRQLLQWMVDDRVAGPLIRSVL
PAGWFIADKTGAGERGARGIVALLGPNNKAERIVVIYLRDTPASMAERNQ
QIAGIGAALIEHWQR

3D structure

• PDB: 3mke Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors.
• Chain: A
• Resolution: 1.75 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S70 K73 S130 E166 K234 A237
• Catalytic site (residue number reindexed from 1): S45 K48 S105 E141 K209 A212
• 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	MA4	A	V224 P226 A248 V261 I263 A284	V199 P201 A222 V234 I236 A257
BS02	MA4	A	L220 R244 N276 I279	L195 R218 N249 I252
BS03	CB4	A	M69 S70 D104 Y105 S130 N132 E166 N170 T235 G236 A237	M44 S45 D79 Y80 S105 N107 E141 N145 T210 G211 A212	PDBbind-CN: -logKd/Ki=5.66,Ki=2.2uM BindingDB: Ki=2200nM
BS04	CZ6	A	A79 R83 D88 F151	A54 R58 D63 F126

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:3mke, PDBe:3mke, PDBj:3mke
• PDBsum: 3mke
• PubMed: 21041505
• UniProt: P0AD64|BLA1_KLEPN Beta-lactamase SHV-1 (Gene Name=bla)