Structure of PDB 5h3t Chain D Binding Site BS01

Receptor Information
>5h3t Chain D (length=657) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEPRTLPPSPNWYCARCSDAVPGGLFGFAARTSVFLVRVGPGAGESPGTP
PFRVIGELVGHTERVSGFTFSHHPGQYNLCATSSDDGTVKIWDVETKTVV
TEHALHQHTISTLHWSPRVKDLIVSGDEKGVVFCYWFNRNDSQHLFIEPR
TIFCLTCSPHHEDLVAIGYKDGIVVIIDISKKGEVIHRLRGHDDEIHSIA
WCPLPGCYLATGSKDQTIRIWSCSRGRGVMILKLPRLWLTLHWPSNQPTQ
LVSSCFGGELLQWDLTQSWRRKYTLFSQNHSRIVFNLCPLQTEDDKQLLL
STSMDRDVKCWDIATLECSWTLPSLGGFAYSLAFSSVDIGSLAIGVGDGM
IRVWNTLSIKNNYDVKNFWQGVKSKVTALCWHPTKEGCLAFGTDDGKVGL
YDTYSNKPPQISSTYHKKTVYTLAWGPPVPSLALYSCGGEGIVLQHNPWK
LSGEAFDINKLIRDTNSIKYKLPVHTEISWKADGKIMALGNEDGSIEIFQ
INLKLICTIQQHHKLVNTISWHHEHGSQPELSYLMASGSNNAVIYVHNLK
TVIESSPESPVTITEPYRTLSGHTAKITSVAWSPHHDGRLVSASYDGTAQ
VWDALREEPLCNFRGHRGRLLCVAWSPLDPDCIYSGADDFCVHKWLTSMQ
DHSRPPQ
Ligand information
Ligand IDMGT
InChIInChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
InChIKeyBUJQMJUTTBGELS-KQYNXXCUSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341CN1CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N
CACTVS 3.341CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
FormulaC11 H20 N5 O14 P3
Name7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1234306
DrugBankDB03358
ZINCZINC000036753028
PDB chain5h3t Chain D Residue 801 [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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PDB5h3t Structural basis for specific recognition of pre-snRNA by Gemin5
Resolution2.571 Å
Binding residue
(original residue number in PDB)		Y474 T540 N582 Y660
Binding residue
(residue number reindexed from 1)		Y421 T476 N517 Y595
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5h3t, PDBe:5h3t, PDBj:5h3t
PDBsum5h3t
PubMed27834343
UniProtQ8TEQ6|GEMI5_HUMAN Gem-associated protein 5 (Gene Name=GEMIN5)

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