Structure of PDB 6rtp Chain B Binding Site BS03

Receptor Information

>6rtp Chain B (length=484) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough)

GATGRTTIAIDPVTRIEGHLKAEVVVENGKVVDARLSGTMYRGFETILRG
RDPRDASQIVQRICGVCPTAHSTASVLALDEAFGAKVPNNGRITRNLIFG
ANYLQSHILHFYHLSAQDFVQGPDTAPFVPRFPKSDLRLSKELNKAGVDQ
YIEALEVRRICHEMVALFGGRMPHVQGQVVGGATEIPTKEKLVEYAARFK
KVRDFVEQKYVPVVYTIGSKYKDMFKVGQGFKAALCVGAFPLDNSGKKHL
FMPGVYAKGKDMPFDPSKIKEYVKYSWFAEETTGLNYKEGKTIPAPDKAG
AYSFVKAPRYDGLSLEVGPLARMWVNNPELSPVGKKLLKDLFGISAKKFR
DLGEEAAFSLMGRHVARAEETYYMLGAIEGWLKEIKAGEDTVVMPAVPAS
AEGTGFTEAPRGSLLHYVKVKDSKIDNYQIVSASLWNCNPRDDMGQRGAV
EEALIGIPVDDIQNPVNVARLIRAFDPCLGCAVH

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 6rtp Chain B Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6rtp A Hydrophilic Channel Is Involved in Oxidative Inactivation of a [NiFeSe] Hydrogenase
• Resolution: 1.1 Å
• Binding residue (original residue number in PDB): E56 I441 H495
• Binding residue (residue number reindexed from 1): E45 I430 H484
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E28 C75 C78 H82 R422 S445 C489 C492
• Catalytic site (residue number reindexed from 1): E17 C64 C67 H71 R411 S434 C478 C481
• Enzyme Commision number: 1.12.7.2: ferredoxin hydrogenase.

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0008901 ferredoxin hydrogenase activity
• GO:0016151 nickel cation binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:6rtp, PDBe:6rtp, PDBj:6rtp
• PDBsum: 6rtp
• UniProt: Q72AS3