Structure of PDB 7o25 Chain A Binding Site BS02

Receptor Information

>7o25 Chain A (length=356) Species: 2336 (Thermotoga maritima)

MWSHPQFEKASTGREILEKLERREFTREVLKEALSINDRGFNEALFKLAD
EIRRKYVGDEVHIRAIIEFSNVCRKNCLYCGLRRDNKNLKRYRMTPEEIV
ERARLAVQFGAKTIVLQSGEDPYYMPDVISDIVKEIKKMGVAVTLSLGEW
PREYYEKWKEAGADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKEL
GYETGAGSMVGLPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPLAN
EKKGDFTLTLKMVALTRILLPDSNIPATTAMGTIVPGGREITLRCGANVI
MPNWTPSPYRQLYQLYPGKISVFEKDTASIPSVMKMIELLGRKPGRDWGG
RKRVFE

Ligand information

• Ligand ID: SAM
• InChI: InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
• InChIKey: MEFKEPWMEQBLKI-FCKMPRQPSA-N
• SMILES:
  CACTVS 3.341: C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
  OpenEye OEToolkits 1.5.0: C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
  CACTVS 3.341: C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
  OpenEye OEToolkits 1.5.0: C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
  ACDLabs 10.04: [O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
• Formula: C15 H22 N6 O5 S
• Name: S-ADENOSYLMETHIONINE
• ChEMBL: CHEMBL1235831
• PDB chain: 7o25 Chain A Residue 407

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7o25 Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
• Resolution: 1.34 Å
• Binding residue (original residue number in PDB): Y69 Q107 S108 G138 R159 E161 R180 M199 I231 L305 Y306
• Binding residue (residue number reindexed from 1): Y79 Q117 S118 G148 R169 E171 R190 M209 I241 L315 Y316
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): C63 C67 C70 V105 T134 G195 P266
• Catalytic site (residue number reindexed from 1): C73 C77 C80 V115 T144 G205 P276
• Enzyme Commision number: 1.8.-.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016491 oxidoreductase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051537 2 iron, 2 sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0042364 water-soluble vitamin biosynthetic process
• GO:0044272 sulfur compound biosynthetic process

External links

• PDB: RCSB:7o25, PDBe:7o25, PDBj:7o25
• PDBsum: 7o25
• PubMed: 34048236
• UniProt: Q9X0Z6|HYDE_THEMA [FeFe] hydrogenase maturase subunit HydE (Gene Name=TM_1269)