Structure of PDB 1pg3 Chain B

Receptor sequence

>1pg3B (length=639) Species: 28901 (Salmonella enterica)

HKHAIPANIADRCLINPEQYETKYKQSINDPDTFWGEQGKILDWITPYQK
VKNTSFAPGNVSIKWYEDGTLNLAANCLDRHLQENGDRTAIIWEGDDTSQ
SKHISYRELHRDVCRFANTLLDLGIKKGDVVAIYMPMVPEAAVAMLACAR
IGAVHSVIFGGFSPEAVAGCIIDSSSRLVITADEGVRAGRSIPLKKNVDD
ALKNPNVTSVEHVIVLKRTGSDIDWQEGRDLWWRDLIEKASPEHQPEAMN
AEDPLFILYTSGSTGKPKGVLHTTGGYLVYAATTFKYVFDYHPGDIYWCT
ADVGWVTGHSYLLYGPLACGATTLMFEGVPNWPTPARMCQVVDKHQVNIL
YTAPTAIRALMAEGDKAIEGTDRSSLRILGSVGEPINPEAWEWYWKKIGK
EKCPVVDTWWQTETGGFMITPLPGAIELKAGSATRPFFGVQPALVDNEGH
PQEGATEGNLVITDSWPGQARTLFGDHERFEQTYFSTFKNMYFSGDGARR
DEDGYYWITGRVDDVLNVSGHRLGTAEIESALVAHPKIAEAAVVGIPHAI
KGQAIYAYVTLNHGEEPSPELYAEVRNWVRKEIGPLATPDVLHWTDSLPK
TRSGKIMRRILRKIAAGDGDTSTLADPGVVEKLLEEKQA

3D structure

• PDB: 1pg3 The 1.75 A Crystal Structure of Acetyl-CoA Synthetase Bound to Adenosine-5'-propylphosphate and Coenzyme A
• Chain: B
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): T264 T416 E417 N521 R526 K609
• Catalytic site (residue number reindexed from 1): T260 T412 E413 N517 R522 K605
• Enzyme Commision number: 6.2.1.1: acetate--CoA ligase.

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	MG	B	V537 H539 I542	V533 H535 I538
BS02	COA	B	F163 G164 G165 R191 R194 I196 A305 W309 T311 P334 A357 A360 R584 P589	F159 G160 G161 R187 R190 I192 A301 W305 T307 P330 A353 A356 R580 P585
BS03	PRX	B	V386 G387 E388 P389 T412 W413 W414 Q415 T416 D500 I512 R515 R526	V382 G383 E384 P385 T408 W409 W410 Q411 T412 D496 I508 R511 R522

Gene Ontology

Molecular Function

• GO:0003987 acetate-CoA ligase activity
• GO:0005524 ATP binding
• GO:0016208 AMP binding
• GO:0016874 ligase activity
• GO:0016877 ligase activity, forming carbon-sulfur bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0006085 acetyl-CoA biosynthetic process
• GO:0006935 chemotaxis
• GO:0019427 acetyl-CoA biosynthetic process from acetate

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:1pg3, PDBe:1pg3, PDBj:1pg3
• PDBsum: 1pg3
• PubMed: 12627952
• UniProt: Q8ZKF6|ACSA_SALTY Acetyl-coenzyme A synthetase (Gene Name=acs)