Structure of PDB 5hdt Chain A Binding Site BS02

Receptor Information
>5hdt Chain A (length=1085) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEISDKISKEEMVRRLKMVVKTFMDMDQDSEEEKELYLNLALHLASDFFL
KHPDKDVRLLVACCLADIFRIYAPEAPHTSPDKLKDIFMFITRQLKGLED
TKSPQFNRYFYLLENIAWVKSYNICFELEDSNEIFTQLYRTLFSVINNGH
NQKVHMHMVDLMSSIICEGDTVSQELLDTVLVNLVPAHKNLNKQAYDLAK
ALLKRTAQAIEPYITNFFNQVLMLGKTSISDLSEHVFDLILELYNIDSHL
LLSVLPQLEFKLKSNDNEERLQVVKLLAKMFGAKDSELASQNKPLWQCYL
GRFNDIHVPIRLECVKFASHCLMNHPDLAKDLTEYLKVRSHDPEEAIRHD
VIVSIVTAAKKDILLVNDHLLNFVRERTLDKRWRVRKEAMMGLAQIYKKY
ALQSAAGKDAAKQIAWIKDKLLHIYYQNSIDDRLLVERIFAQYMVPHNLE
TTERMKCLYYLYATLDLNAVKALNEMWKCQNLLRHQVKDLLDLIKQPKTD
ASVKAIFSKVMVITRNLPDPGKAQDFMKKFTQVLEDDEKIRKQLEVLVSP
TCSCKQAEGCVREITKKLGNPFLEMIKFLLERIAPVHIDTESISALIKQV
NKSIDGTADDEDEGVPTDQAIRAGLELLKVLSFTHPISFHSAETFESLLA
CLKMDDEKVAEAALQIFKNTGSKIEEDFPHIRSALLPVLHHKSKKGPPRQ
AKYAIHCIHAIFSSKETQFAQIFEPLHKSLDPSNLEHLITPLVTIGHIAL
LAPDQFAAPLKSLVATFIVKDLLMNDRLPGKKTTKLWVPDEEVSPETMVK
IQAIKMMVRWLLGMKNNHSKSGTSTLRLLTTILHSDGDLTEQGKISKPDM
SRLRLAAGSAIVKLAQEPCYHEIITLEQYQLCALAINDECYQVRQVFAQK
LHKGLSRLRLPLEYMAICALCAKDPVKERRAHARQCLVKNINVRREYLKQ
HAAVSEKLLSLLPEYVVPYTIHLLAHDPDYVKVQDIEQLKDVKECLWFVL
EILMAKNENNSHAFIRKMVENIKQTKDAQGPDDAKMNEKLYTVCDVAMNI
IMSKSTTYSLESPKDPVLPARFFTQPTKNYLPPEM
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain5hdt Chain A Residue 1201 [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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PDB5hdt Structure of the human cohesin regulator Pds5 in complex with Wapl motif
Resolution2.711 Å
Binding residue
(original residue number in PDB)		R724 K727 K830 R834 K925 K928
Binding residue
(residue number reindexed from 1)		R699 K702 K805 R809 K900 K903
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007064 mitotic sister chromatid cohesion

View graph for
Biological Process
External links
PDB RCSB:5hdt, PDBe:5hdt, PDBj:5hdt
PDBsum5hdt
PubMed
UniProtQ9NTI5|PDS5B_HUMAN Sister chromatid cohesion protein PDS5 homolog B (Gene Name=PDS5B)

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