Structure of PDB 3ayx Chain D Binding Site BS01

Receptor Information

>3ayx Chain D (length=267) Species: 28885 (Hydrogenovibrio marinus)

PRTPVIWLHGLECTCCSESFIRSAHPLAKDVVLSMISLDYDDTLMAASGH
AAEAILDEIKEKYKGNYILAVEGNPPLNQDGMSCIIGGRPFSEQLKRMAD
DAKAIISWGSCASWGCVQAAKPNPTQATPVHKFLGGGYDKPIIKVPGCPP
IAEVMTGVITYMLTFDRIPELDRQGRPKMFYSQRIHDKCYRRPHFDAGQF
VEEWDDEGARKGYCLYKVGCKGPTTYNACSTVRWNGGTSFPIQSGHGCIG
CSEDGFWDKGSFYSRDT

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: 3ayx Chain D Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ayx Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
• Resolution: 1.18 Å
• Binding residue (original residue number in PDB): C23 C25 C26 C121 C126 C158
• Binding residue (residue number reindexed from 1): C13 C15 C16 C111 C116 C148
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C23 C26 C121 C158 H196 C199 C224 C230 C239 P251 C258 C261
• Catalytic site (residue number reindexed from 1): C13 C16 C111 C148 H186 C189 C214 C220 C229 P241 C248 C251
• 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:3ayx, PDBe:3ayx, PDBj:3ayx
• PDBsum: 3ayx
• PubMed: 22002607
• UniProt: F2Z6J5