Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T63083 | Target Info | |||
| Target Name | DNA repair protein RAD51 homolog 1 (RAD51) | ||||
| Synonyms | hRAD51; RECA; RAD51A; RAD51 homolog A; HsRAD51 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | RAD51 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | AMP-PNP | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N | ||||
| InChI | 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 | ||||
| InChIKey | PVKSNHVPLWYQGJ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 33113 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7C9A Human RAD51 post-synaptic complexes mutant (V273P, D274G) | ||||||
| Method | Electron microscopy | Resolution | 3.43 Å | Mutation | Yes | [1] |
| PDB Sequence |
PQPISRLEQC
31 GINANDVKKL41 EEAGFHTVEA51 VAYAPKKELI61 NIKGISEAKA71 DKILAEAAKL 81 VPMGFTTATE91 FHQRRSEIIQ101 ITTGSKELDK111 LLQGGIETGS121 ITEMFGEFRT 131 GKTQICHTLA141 VTCQLPIDRG151 GGEGKAMYID161 TEGTFRPERL171 LAVAERYGLS 181 GSDVLDNVAY191 ARAFNTDHQT201 QLLYQASAMM211 VESRYALLIV221 DSATALYRTD 231 YSGRGELSAR241 QMHLARFLRM251 LLRLADEFGV261 AVVITNQVVA271 QPGGAADPKK 285 PIGGNIIAHA295 STTRLYLRKG305 RGETRICKIY315 DSPCLPEAEA325 MFAINADGVG 335 D
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PHE129
2.838
ARG130
3.650
THR131
3.353
GLY132
3.171
LYS133
2.645
THR134
2.675
GLN135
3.811
GLU163
3.897
ARG170
3.320
ALA293
3.782
HIS294
3.405
SER296
4.088
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| PDB ID: 5NP7 CryoEM structure of Human Rad51 on single-stranded DNA to 4.2A resolution. | ||||||
| Method | Electron microscopy | Resolution | 4.20 Å | Mutation | No | [2] |
| PDB Sequence |
FGPQPISRLE
29 QCGINANDVK39 KLEEAGFHTV49 EAVAYAPKKE59 LINIKGISEA69 KADKILAEAA 79 KLVPMGFTTA89 TEFHQRRSEI99 IQITTGSKEL109 DKLLQGGIET119 GSITEMFGEF 129 RTGKTQICHT139 LAVTCQLPID149 RGGGEGKAMY159 IDTEGTFRPE169 RLLAVAERYG 179 LSGSDVLDNV189 AYARAFNTDH199 QTQLLYQASA209 MMVESRYALL219 IVDSATALYR 229 TDYSGRGELS239 ARQMHLARFL249 RMLLRLADEF259 GVAVVITNQV269 VAQVDKKPIG 288 GNIIAHASTT298 RLYLRKGRGE308 TRICKIYDSP318 CLPEAEAMFA328 INADGVGDAK 338 D
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| PDB ID: 5H1B Human RAD51 presynaptic complex | ||||||
| Method | Electron microscopy | Resolution | 4.40 Å | Mutation | Yes | [3] |
| PDB Sequence |
PQPISRLEQC
31 GINANDVKKL41 EEAGFHTVEA51 VAYAPKKELI61 NIKGISEAKA71 DKILAEAAKL 81 VPMGFTTATE91 FHQRRSEIIQ101 ITTGSKELDK111 LLQGGIETGS121 ITEMFGEFRT 131 GKTQICHTLA141 VTCQLPIDRG151 GGEGKAMYID161 TEGTFRPERL171 LAVAERYGLS 181 GSDVLDNVAY191 ARAFNTDHQT201 QLLYQASAMM211 VESRYALLIV221 DSATALYRTD 231 YSGRGELSAR241 QMHLARFLRM251 LLRLADEFGV261 AVVITNQVVA271 QVDGPKKPIG 288 GNIIAHASTT298 RLYLRKGRGE308 TRICQIYDSP318 CLPEAEAMFA328 INADGVGD |
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| PDB ID: 5H1C Human RAD51 post-synaptic complexes | ||||||
| Method | Electron microscopy | Resolution | 4.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
PQPISRLEQC
31 GINANDVKKL41 EEAGFHTVEA51 VAYAPKKELI61 NIKGISEAKA71 DKILAEAAKL 81 VPMGFTTATE91 FHQRRSEIIQ101 ITTGSKELDK111 LLQGGIETGS121 ITEMFGEFRT 131 GKTQICHTLA141 VTCQLPIDRG151 GGEGKAMYID161 TEGTFRPERL171 LAVAERYGLS 181 GSDVLDNVAY191 ARAFNTDHQT201 QLLYQASAMM211 VESRYALLIV221 DSATALYRTD 231 YSGRGELSAR241 QMHLARFLRM251 LLRLADEFGV261 AVVITNQVVA271 QVDGAADPKK 285 PIGGNIIAHA295 STTRLYLRKG305 RGETRICQIY315 DSPCLPEAEA325 MFAINADGVG 335 D
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Identification of fidelity-governing factors in human recombinases DMC1 and RAD51 from cryo-EM structures. Nat Commun. 2021 Jan 14;12(1):115. | ||||
| REF 2 | High-resolution structure of the presynaptic RAD51 filament on single-stranded DNA by electron cryo-microscopy. Nucleic Acids Res. 2016 Nov 2;44(19):9017-9030. | ||||
| REF 3 | Cryo-EM structures of human RAD51 recombinase filaments during catalysis of DNA-strand exchange. Nat Struct Mol Biol. 2017 Jan;24(1):40-46. | ||||
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