Structure of PDB 5yhw Chain B Binding Site BS03

Receptor Information
>5yhw Chain B (length=453) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVKVINDPIHGHIELHPLLIRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVRELSEKQPELQISERDMLCVQIAGLCRNLGHGPF
SHMFDGRFIPLARPDVKWTHEQGSVNMFEHLVNSNGLIDVMEHYGLIPEE
DIWFIKEQITGPWPYKGRPKEKSFLYEIVANKRNGIDVDKWDYFARDCHH
LGIQNNFDYKRFIKFARVCEVDNKKHICTREKEVGNLYDMFHTRNCLHRR
AYQHKVGNIIDTMITDAFLKADPYIEITGSEGKKYRISTAIDDMEAFTKL
TDNIFLEILYSTDPKLDAARAILKKIECRNLYKFVGETQPGRQDKIKREN
YESLPKGVASAFIVDVINMDYGMEDKNPIDNVRFYCKSDPNKAIIITKNQ
VSQLLPERFAEQLIRVYCKKTDEKSLFAARQHFVQWCLDNDFTKPQDGDV
VAP
Ligand information
Ligand IDDGT
InChIInChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKeyHAAZLUGHYHWQIW-KVQBGUIXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
FormulaC10 H16 N5 O13 P3
Name2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL477486
DrugBankDB02181
ZINCZINC000008215755
PDB chain5yhw Chain B Residue 703 [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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PDB5yhw Structural characterization and directed modification of Sus scrofa SAMHD1 reveal the mechanism underlying deoxynucleotide regulation.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Q149 L150 R164 R206 H210 H215 H233 K312 Y315 R366 Y374 Q375
Binding residue
(residue number reindexed from 1)		Q36 L37 R51 R93 H97 H102 H120 K190 Y193 R244 Y252 Q253
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links