Structure of PDB 4rib Chain B Binding Site BS03

Receptor Information
>4rib Chain B (length=628) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGHPYYLRSFLVVLKTVLENEDDMLLFDEQEKGIVTKFYQLSATGQKLYV
RLFQRKLSWIKMTKLEYEEIALDLTPVIEELTNAGFLQTESELQELSEVL
ELLSAPELKSLAKTFHLANPNGQKQQLVDAFLKLAKQRSVIGAVILKRAK
ALAGQSVRICKGPRAVFSRILLLFSLTDSMEDEDAACGGQGQLSTVLLVN
LGRMEFPSYTINRKTHIFQDRDDLIRYAAATHMLSDISSAMANGNWEEAK
ELAQCAKRDWNRLKNHPSLRCHEDLPLFLRCFTVGWIYTRILSRFVEILQ
RLHMYEEAVRELESLLSQRIYCPDSRGRWWDRLALNLHQHLKRLEPTIKC
ITEGLADPEVRTGHRLSLYQRAVRLRESPSCKKFKHLFQQLPEMAVQDVK
HVTITGRLCPQRKSVFVMEAGEAADPTTVLCSVEELALAHYRRSGFDQGI
HGEGSTFSTLYGLLLWDIIFMDGIPDVFRNACQAFPLDLCTDSFFTSRRP
ALEARLQLIHDAPEESLRAWVAATWHEQEGRVASLVSWDRFTSLQQAQDL
VSCLGGPVLSGVCRHLAADFRHCRGGLPDLVVWNSQSRHFKLVEVKGPND
RLSHKQMIWLAELQKLGAEVEVCHVVAV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4rib Chain B Residue 1101 [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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PDB4rib DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		D960 E975 V976
Binding residue
(residue number reindexed from 1)		D579 E594 V595
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.21.-
3.1.4.1: phosphodiesterase I.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004518 nuclease activity
GO:0016788 hydrolase activity, acting on ester bonds
Biological Process
GO:0036297 interstrand cross-link repair

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4rib, PDBe:4rib, PDBj:4rib
PDBsum4rib
PubMed25430771
UniProtQ9Y2M0|FAN1_HUMAN Fanconi-associated nuclease 1 (Gene Name=FAN1)

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