Structure of PDB 3cf4 Chain A

Receptor sequence

>3cf4A (length=766) Species: 2208 (Methanosarcina barkeri)

NAGPTLFPGLEGYRDDWNFKLLDRYEPVITPMCDQCCYCTYGPCDLSGNK
RGACGIDMKGHNGREFFLRVITGTACHAAHGRHLLDHLIEKYGEDLPLTL
GQSNVLTPNITISTGLSPKTLGEVKPAMEYVEEQLTQLLATVHAGQESAE
IDYDSKALFSGSLDHVGMEISDIVQVAAYDFPKADPEAPLVEIGMGTIDK
SKPFLCVIGHNVAGVTYMMDYMEDNNLTDKMEIAGLCCTAIDLTRYKEAD
RRPPYAKVIGSMSKELKVIRSGMPDVIVVDEQCVRGDIVPEAQKLKIPVI
ASNPKIMYGLPNRTDADVDETMEELKSGKIPGCVMLDYDKLGELCVRLTM
EMAPIRDAAGITALPTDEELVNMVAKCADCGACLLACPEEIDIPEAMGFA
KKGDFSYFEEIHDTCIGCRRCEQVCKKEIPILNVIEKIAQKQIAEEKGLM
RAGRGQVSDAEIRAEGLNLVMGTTPGIIAIIGCPNYAGGTKDVYYIAEEF
LKRNFIVVTTGCGAMDIGMFKDADGKTLYERFPGGFQCGGLANIGSCVSN
AHITGAAEKVAAIFAQRTLEGNLAEIGDYILNRVGACGLAWGAFSQKASS
IGTGCNIFGIPAVLGPHSSKYRRALIAKTYEEDKWKVYDARNGQEMPIPP
APEFLLTTAETWQEAIPMMAKACIRPSDNSMGRAIKLTHWMELHKKYLGG
KEPEDWWKFVRTEADLPLATREALLKELEKEHGWEIDWKRKKIISGPKIK
FDVSAQPTNLKRLCKE

3D structure

• PDB: 3cf4 Structure of the alpha2 epsilon2 Ni-dependent CO dehydrogenase component of the Methanosarcina barkeri acetyl-CoA decarboxylase/synthase complex
• Chain: A
• Resolution: 2.0 Å

Enzymatic activity

• Enzyme Commision number: 1.2.7.4: anaerobic carbon-monoxide dehydrogenase.

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	SF4	A	C73 C77	C33 C37
BS02	SF4	A	C76 Y78 C79 G82 C84 A93 C94 I96 R104	C36 Y38 C39 G42 C44 A53 C54 I56 R64
BS03	FE	A	H250 C278 C587	H210 C238 C547
BS04	WCC	A	H250 C278 C323 G522 C523 C552 C587 F634 S635 K637	H210 C238 C283 G482 C483 C512 C547 F594 S595 K597
BS05	CMO	A	C587 I641	C547 I601
BS06	SF4	A	C427 P428 I431 C455 I456 C458 R459 C461	C387 P388 I391 C415 I416 C418 R419 C421
BS07	SF4	A	C417 A418 D419 C420 G421 C423 C465 I471	C377 A378 D379 C380 G381 C383 C425 I431

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004601 peroxidase activity
• GO:0005506 iron ion binding
• GO:0016151 nickel cation binding
• GO:0016491 oxidoreductase activity
• GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
• GO:0046872 metal ion binding
• GO:0050418 hydroxylamine reductase activity
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0006084 acetyl-CoA metabolic process
• GO:0015948 methanogenesis
• GO:0019385 methanogenesis, from acetate
• GO:0042542 response to hydrogen peroxide
• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:3cf4, PDBe:3cf4, PDBj:3cf4
• PDBsum: 3cf4
• PubMed: 18621675
• UniProt: Q46G04|ACDA1_METBF Acetyl-CoA decarbonylase/synthase complex subunit alpha 1 (Gene Name=cdhA1)