2024-09-07_00000337
|
ligand
|
9FLO
Crystal structure of human Haspin (GSG2) kinase bound to MU2181;
X-ray diffraction 2.90Å
Protein #1
357 residues (93% resolved)
Raw Sequence ...
MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK
Canonical Sequence ...
MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK
Non polymer #2
A1IDC
InChI=1S/C15H13N5S2/c1-9-7-20(2)19-15(9)18-13-4-3-12-14(17-13)10(8-21-12)11-5-6-16-22-11/h3-8H,1-2H3,(H,17,18,19)
InChI=1S/C15H13N5S2/c1-9-7-20(2)19-15(9)18-13-4-3-12-14(17-13)10(8-21-12)11-5-6-16-22-11/h3-8H,1-2H3,(H,17,18,19)
SMILES: Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccns4)C
Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccns4)C
Non polymer #3
NI
InChI=1S/Ni/q+2
InChI=1S/Ni/q+2
SMILES: [Ni+2]
[Ni+2]
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%