Structure of PDB 8aio Chain B

Receptor sequence

>8aioB (length=573) Species: 1501 (Clostridium pasteurianum)

KTIIINGVQFNTDEDTTILKFARDNNIDISALCFLNNCNNDINKCEICTV
EVEGTGLVTACDTLIEDGMIINTNSDAVNEKIKSRISQLLDIHEFKCGPC
NRRENCEFLKLVIKYKARASKPFLPKDKTEYVDERSKSLTVDRTKCLLCG
RCVNACGKNTETYAMKFLNKNGKTIIGAEDEKCFDDTNCLLCGQCIIACP
VAALSEKSHMDRVKNALNAPEKHVIVAMAPSVRASIGELFNMGFGVDVTG
KIYTALRQLGFDKIFDINFGADMTIMEEATELVQRIENNGPFPMFTSCCP
GWVRQAENYYPELLNNLSSAKSPQQIFGTASKTYYPSISGLDPKNVFTVT
VMPCTSKKFEADRPQMEKDGLRDIDAVITTRELAKMIKDAKIPFAKLEDS
EADPAMGEYSGAGAIFGATGGVMEAALRSAKDFAENAELEDIEYKQVRGL
NGIKEAEVEINNNKYNVAVINGASNLFKFMKSGMINEKQYHFIEVMACHG
GCVNGGGQPHVNPKDLEKVDIKKVRASVLYNQDEHLSKRKSHENTALVKM
YQNYFGKPGEGRAHEILHFKYKK

3D structure

• PDB: 8aio Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway.
• Chain: B
• Resolution: 1.52 Å

Enzymatic activity

• Enzyme Commision number: 1.12.7.2: ferredoxin hydrogenase.

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	MHX	B	A230 P231 S232 C299 P324 Q325 M353 P354 K358 F417 M497 C503	A229 P230 S231 C298 P323 Q324 M352 P353 K357 F416 M496 C502
BS02	SF4	B	C300 C355 M497 A498 C499 C503	C299 C354 M496 A497 C498 C502
BS03	SF4	B	C157 T161 T163 M166 C190 L191 L192 C193 G194 C196	C156 T160 T162 M165 C189 L190 L191 C192 G193 C195
BS04	SF4	B	C147 L148 L149 C150 G151 C153 I177 C200 P201 A204 L205	C146 L147 L148 C149 G150 C152 I176 C199 P200 A203 L204
BS05	SF4	B	H94 F96 K97 C98 C101 C107	H93 F95 K96 C97 C100 C106
BS06	FES	B	A32 C34 F35 C46 E47 C49 C62	A31 C33 F34 C45 E46 C48 C61
BS07	MG	B	N40 D42	N39 D41

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0008901 ferredoxin hydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

External links

• PDB: RCSB:8aio, PDBe:8aio, PDBj:8aio
• PDBsum: 8aio
• PubMed: 36464641
• UniProt: P29166|PHF1_CLOPA Iron hydrogenase 1