Structure of PDB 3rh4 Chain A Binding Site BS09
Receptor Information
>3rh4 Chain A (length=326) Species:
9606
(Homo sapiens) [
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TLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEA
KKLPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPS
AARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQ
DIVLNEVKKVDSEYIATVCGSFRRGAESSGDMDVLLTHPSFTSESTKQPK
LLHQVVEQLQKVHFITDTLSKGETKFMGVCQLPSKNDEKEYPHRRIDIRL
IPKDQYYCGVLYFTGSDIFNKNMRAHALEKGFTINEYTIRPLGVTGVAGE
PLPVDSEKDIFDYIQWKYREPKDRSE
Ligand information
Ligand ID
CTP
InChI
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
PCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341
NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
Formula
C9 H16 N3 O14 P3
Name
CYTIDINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL223533
DrugBank
DB02431
ZINC
ZINC000003861746
PDB chain
3rh4 Chain A Residue 350 [
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Receptor-Ligand Complex Structure
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PDB
3rh4
Molecular insights into DNA polymerase deterrents for ribonucleotide insertion.
Resolution
1.918 Å
Binding residue
(original residue number in PDB)
I174 T176 T196 K262 Y265 Y266
Binding residue
(residue number reindexed from 1)
I165 T167 T187 K253 Y256 Y257
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D190 D192 D256
Catalytic site (residue number reindexed from 1)
D181 D183 D247
Enzyme Commision number
2.7.7.7
: DNA-directed DNA polymerase.
4.2.99.-
4.2.99.18
: DNA-(apurinic or apyrimidinic site) lyase.
Gene Ontology
Molecular Function
GO:0003677
DNA binding
GO:0003684
damaged DNA binding
GO:0003887
DNA-directed DNA polymerase activity
GO:0003906
DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0005515
protein binding
GO:0008017
microtubule binding
GO:0016779
nucleotidyltransferase activity
GO:0016829
lyase activity
GO:0019899
enzyme binding
GO:0034061
DNA polymerase activity
GO:0046872
metal ion binding
GO:0051575
5'-deoxyribose-5-phosphate lyase activity
GO:0140078
class I DNA-(apurinic or apyrimidinic site) endonuclease activity
Biological Process
GO:0001701
in utero embryonic development
GO:0006259
DNA metabolic process
GO:0006260
DNA replication
GO:0006261
DNA-templated DNA replication
GO:0006281
DNA repair
GO:0006284
base-excision repair
GO:0006287
base-excision repair, gap-filling
GO:0006290
pyrimidine dimer repair
GO:0006297
nucleotide-excision repair, DNA gap filling
GO:0006303
double-strand break repair via nonhomologous end joining
GO:0006915
apoptotic process
GO:0006954
inflammatory response
GO:0006974
DNA damage response
GO:0007435
salivary gland morphogenesis
GO:0008630
intrinsic apoptotic signaling pathway in response to DNA damage
GO:0010332
response to gamma radiation
GO:0016445
somatic diversification of immunoglobulins
GO:0016446
somatic hypermutation of immunoglobulin genes
GO:0045471
response to ethanol
GO:0048535
lymph node development
GO:0048536
spleen development
GO:0048872
homeostasis of number of cells
GO:0051402
neuron apoptotic process
GO:0055093
response to hyperoxia
GO:0071707
immunoglobulin heavy chain V-D-J recombination
GO:0071897
DNA biosynthetic process
Cellular Component
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005737
cytoplasm
GO:0005874
microtubule
GO:0005876
spindle microtubule
GO:0032991
protein-containing complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:3rh4
,
PDBe:3rh4
,
PDBj:3rh4
PDBsum
3rh4
PubMed
21733843
UniProt
P06746
|DPOLB_HUMAN DNA polymerase beta (Gene Name=POLB)
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