Structure of PDB 8fay Chain D Binding Site BS03

Receptor Information
>8fay Chain D (length=392) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YHLFRDVAEVTAFRGSLLSWYDQEKRDLPWRRRAEDEMDLDRRAYAVWVS
EVMLQQTQVATVINYYTGWMQKWPTLQDLASASLEEVNQLWAGLGYYSRG
RRLQEGARKVVEELGGHMPRTAETLQQLLPGVGRYTAGAIASIAFGQATG
VVDGNVARVLCRVRAIGADPSSTLVSQQLWGLAQQLVDPARPGDFNQAAM
ELGATVCTPQRPLCSQCPVESLCRARQRVEQEQLLEPWDQTLGVVNFPRK
ASRKPPREESSATCVLEQPGALGAQILLVQRPNSGLLAGLWEFPSVTWEP
SEQLQRKALLQELQRWAGPLPATHLRHLGEVVHTFSHIKLTYQVYGLALE
GQTVPPGARWLTQEEFHTAAVSTAMKKVFRVYQGQQPGTCMG
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8fay Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8fay Human MUTYH adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)
Resolution1.91 Å
Binding residue
(original residue number in PDB)		R245 C290 C297 C300 C306 R309 V355
Binding residue
(residue number reindexed from 1)		R162 C207 C214 C217 C223 R226 V244
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.31: adenine glycosylase.
External links
PDB RCSB:8fay, PDBe:8fay, PDBj:8fay
PDBsum8fay
PubMed
UniProtQ9UIF7|MUTYH_HUMAN Adenine DNA glycosylase (Gene Name=MUTYH)

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