Structure of PDB 4c3o Chain F Binding Site BS01

Receptor Information

>4c3o Chain F (length=263) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2)

PRTPVIWLHGLECTCCTESFIRSAHPLAKDAILSLISLDYDDTIMAAAGQ
QAEQALADVMREYKGNYIVAVEGNAPLNEDGMFCILAGEPFLEKLKRVSA
DAKAIIAWGSCASWGCVQAARPNPTKATPVHKLITDKPIIKVPGCPPIPE
VMSAVITYMLAFDRIPPLDRLGRPKMFYGQRIHDKCYRRAHFDAGQFVEA
WDDEGARKGYCLYKMGCKGPTTYNACSTVRWNDGVSFPIQSGHGCLGCSE
DGFWDYGSFYSRA

Ligand information

• Ligand ID: F4S
• InChI: InChI=1S/4Fe.3S
• InChIKey: QQACTBFBZNWJMV-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.2: [S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3
  CACTVS 3.370: [Fe]|1|2|S3[Fe]S|1[Fe]S|2[Fe]3
• Formula: Fe4 S3
• Name: FE4-S3 CLUSTER;
  T-CLUSTER
• PDB chain: 4c3o Chain F Residue 1003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4c3o How the Structure of the Large Subunit Controls Function in an Oxygen-Tolerant [Nife]-Hydrogenase.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): E16 C17 C19 C20 S114 C115 C120 C149
• Binding residue (residue number reindexed from 1): E12 C13 C15 C16 S110 C111 C116 C145
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C17 C20 C115 C149 H187 C190 C215 C221 C230 P242 C249 C252
• Catalytic site (residue number reindexed from 1): C13 C16 C111 C145 H183 C186 C211 C217 C226 P238 C245 C248
• Enzyme Commision number: 1.12.99.6: hydrogenase (acceptor).

Gene Ontology

Molecular Function

• GO:0008901 ferredoxin hydrogenase activity
• GO:0051536 iron-sulfur cluster binding

Cellular Component

• GO:0009375 ferredoxin hydrogenase complex

External links

• PDB: RCSB:4c3o, PDBe:4c3o, PDBj:4c3o
• PDBsum: 4c3o
• PubMed: 24428762
• UniProt: Q8ZPG9