Structure of PDB 5hmp Chain B Binding Site BS02

Receptor Information
>5hmp Chain B (length=712) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELYTQYNRVWIPDPEEVWKSAEIAKDYRVGDKVLRLLLEDGTELDYSVNP
ESLPPLRNPDILVGENDLTALSYLHEPAVLHNLRIRFAESKLIYTYSGII
LVAMNPYKQLPIYGDAIIHAYSGQNMGDMDPHIFAVAEEAYKQMARNNRN
QSIIVSGESGAGKTVSARYAMRYFATVSKHVEDKVLASNPITEAVGNAKT
TRNDNSSRFGKYTEISFDEQNQIIGANMSTYLLEKSRVVFQSENERNYHI
FYQLCASAQQSEFKHLKLGSAEEFNYTRMGGNTVIEGVNDRAEMVETQKT
FTLLGFKEDFQMDVFKILAAILHLGNVQITAVGNERSSVSEDDSHLKVFC
ELLGLESGRVAQWLCNRKIVTSSETVVKPMTRPQAVNARDALAKKIYAHL
FDFIVERINQALQFSGKQHTFIGVLDIYGFETFDVNSFEQFCINYANEKL
QQQFNMHVFKLEQEEYMKEDIPWTLIDFYDNQPVIDLIEAKMGILELLDE
ECLLPHGTDENWLQKLYNNFVNRNPLFEKPRMSNTSFVIQHFADKVEYKC
EGFLEKNRDTVYDMLVEILRASKFHLCANFFQENRTTVGSKFRSSLYLLM
ETLNATTPHYVRCIKPNDEKLPFEFDSKRIVQQLRACGVLETIRISAQSY
PSRWTYIEFYSRYGILQESDKKEVCKVVLHRLIQDSNQYQFGKTKIFFRA
GQVAYLEKLRLD
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 chain5hmp Chain B Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5hmp The myosin X motor is optimized for movement on actin bundles.
Resolution2.397 Å
Binding residue
(original residue number in PDB)		N109 P110 G164 G166 K167 T168 V169 N212
Binding residue
(residue number reindexed from 1)		N105 P106 G160 G162 K163 T164 V165 N203
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S163 G164 T168 N212 S215 S216 G438 E440
Catalytic site (residue number reindexed from 1) S159 G160 T164 N203 S206 S207 G429 E431
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:5hmp, PDBe:5hmp, PDBj:5hmp
PDBsum5hmp
PubMed27580874
UniProtQ9NQX4|MYO5C_HUMAN Unconventional myosin-Vc (Gene Name=MYO5C)

[Back to BioLiP]