Structure of PDB 1gkf Chain B

Receptor sequence

>1gkfB (length=557) Species: 562 (Escherichia coli)

SNMWVIGKSKAQDAKAIMVNGPQFGWYAPAYTYGIGLHGAGYDVTGNTPF
AYPGLVFGHNGVISWGSTAGFGDDVDIFAERLSAEKPGYYLHNGKWVKML
SREETITVKNGQAETFTVWRTVHGNILQTDQTTQTAYAKSRAWDGKEVAS
LLAWTHQMKAKNWQEWTQQAAKQALTINWYYADVNGNIGYVHTGAYPDRQ
SGHDPRLPVPGTGKWDWKGLLPFEMNPKVYNPQSGYIANWANSPQKDYPA
SDLFAFLWGGADRVTEIDRLLEQKPRLTADQAWDVIRQTSRQDLNLRLFL
PTLQAATSGLTQSDPRRQLVETLTRWDGINLLNDDGKTWQQPGSAILNVW
LTSMLKRTVVAAVPMPFDKWYSASGYETTQDGPTGSLNISVGAKILYEAV
QGDKSPIPQAVDLFAGKPQQEVVLAALEDTWETLSKRYGNNVSNWKTPAM
ALTFRANNFFGVPQAAAEETRHQAEYQNRGTENDMIVFSPTTSDRPVLAW
DVVAPGQSGFIAPDGTVDKHYEDQLKMYENFGRKSLWLTKQDVEAHKESQ
EVLHVQR

3D structure

• PDB: 1gkf Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism
• Chain: B
• Resolution: 1.41 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S1 Q23 A69 F71 A241
• Catalytic site (residue number reindexed from 1): S1 Q23 A69 F71 A241
• Enzyme Commision number: 3.5.1.11: penicillin amidase.

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	EDO	B	F256 L257 N388 K394	F256 L257 N388 K394
BS02	EDO	B	A79 Y137 P208 P210	A79 Y137 P208 P210
BS03	EDO	B	Q288 R291 I329	Q288 R291 I329
BS04	EDO	B	D327 I329	D327 I329
BS05	EDO	B	A171 Q173 G194 F223 N226	A171 Q173 G194 F223 N226
BS06	EDO	B	A238 V264 D268	A238 V264 D268
BS07	EDO	B	S508 F510 D518	S508 F510 D518
BS08	EDO	B	E475 E529 N530	E475 E529 N530
BS09	EDO	B	M225 N226 P227 K228 Q245	M225 N226 P227 K228 Q245
BS10	EDO	B	D73 R199	D73 R199
BS11	EDO	B	G375 L387 N388	G375 L387 N388
BS12	CA	B	D73 V75 D76 P205 D252	D73 V75 D76 P205 D252

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity

Biological Process

• GO:0017000 antibiotic biosynthetic process

External links

• PDB: RCSB:1gkf, PDBe:1gkf, PDBj:1gkf
• PDBsum: 1gkf
• PubMed: 11601852
• UniProt: P06875|PAC_ECOLX Penicillin G acylase (Gene Name=pac)