Structure of PDB 4czy Chain B Binding Site BS01

Receptor Information
>4czy Chain B (length=403) Species: 5141 (Neurospora crassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPKDRRENLQKKLFHMQQLLPNSGLPNLDRWHSLFPLDTKATRNSTCFGY
PSWMYKAQNNKNGRHFALRRIEGYRLTNEKAILNVTKEWKKIINANIVTV
HEAFTTEFFGDSSLIFVYDFHPLSETLYDHHFPPNRNTNKIPENLLWSYV
CQIANALLAIHNAKLAARCLELSKIIWENNRIRLAACSILDVLHHDSPNR
KTIEELQQEDFVKFGRIILALATNTPTLNFNNIDAALATIVPRYSTQLRG
VLEWLIKPSAPGETKTVETLLGGITTHLANFANFVMQESDEKEFHLMREL
ENGRIARLMFKLSVVNERGDSHNWSETGERLLLKLFRDYVFHQVDADGKA
RLDTNHYLNCLSKLDASSEEQILLTSRDNATVFVVSYRSIRQMLDRAYGE
LGK
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain4czy Chain B Residue 1650 [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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PDB4czy An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		D271 N277 T279 M287 A300 R302 F353 H354 S357 E358 T359 K413 I415
Binding residue
(residue number reindexed from 1)		D38 N44 T46 M54 A67 R69 F120 H121 S124 E125 T126 K174 I176
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000289 nuclear-transcribed mRNA poly(A) tail shortening
GO:0006397 mRNA processing
Cellular Component
GO:0031251 PAN complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4czy, PDBe:4czy, PDBj:4czy
PDBsum4czy
PubMed24880343
UniProtQ7SDP4|PAN3_NEUCR PAN2-PAN3 deadenylation complex subunit pan3 (Gene Name=par-2)

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