Structure of PDB 4zg4 Chain E Binding Site BS02

Receptor Information
>4zg4 Chain E (length=711) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAVAELYTQYNRVWIPDPEEVWKSAEIAKDYRVGDKVLRLLLELDYSVNP
ESLPPLRNPDILVGENDLTALSYLHEPAVLHNLRIRFAESKLIYTYSGII
LVAMNPYKQLPIYGDAIIHAYSGQNMGDMDPHIFAVAEEAYKQMARNNRN
QSIIVSGESGAGKTVSARYAMRYFATVSKSGSNAHVEDKVLASNPITEAV
GNAKTTRNDNSSRFGKYTEISFDEQNQIIGANMSTYLLEKSRVVFQSENE
RNYHIFYQLCASAQQSEFKHLKLGSAEEFNYTRMGGNTVIEGVNDRAEMV
ETQKTFTLLGFKEDFQMDVFKILAAILHLGNVQITAVGNERSSVSEDDSH
LKVFCELLGLESGRVAQWLCNRKIVTSSETVVKPMTRPQAVNARDALAKK
IYAHLFDFIVERINQALQFSGKQHTFIGVLDIYGFETFDVNSFEQFCINY
ANEKLQQQFNMHVFKLEQEEYMKEDIWTLIDFYDNQPVIDLIEAKMGILE
LLDEECLLPHGTDENWLQKLYNNFVNRNPLFEKPRMSNTSFVIQHFADKV
EYKCEGFLEKNRDTVYDMLVEILRASKFHLCANFFQENRTTVGSKFRSSL
YLLMETLNATTPHYVRCIKPNDEKLPFEFDSKRIVQQLRACGVLETIRIS
AQSYPWTYIEFYSRYGILKQELSFVCKVVLHRLIQDSNQYQFGKTKIFFR
AVAYLEKLRLD
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4zg4 Chain E Residue 803 [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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PDB4zg4 Force-producing ADP state of myosin bound to actin.
Resolution2.36 Å
Binding residue
(original residue number in PDB)		N109 P110 K112 G164 G166 K167 T168 V169 N212
Binding residue
(residue number reindexed from 1)		N105 P106 K108 G160 G162 K163 T164 V165 N208
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S163 T168 S215 S216
Catalytic site (residue number reindexed from 1) S159 T164 S211 S212
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4zg4, PDBe:4zg4, PDBj:4zg4
PDBsum4zg4
PubMed26976594
UniProtQ9NQX4|MYO5C_HUMAN Unconventional myosin-Vc (Gene Name=MYO5C)

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