Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T11283 | Target Info | |||
| Target Name | Mitochondrial matrix protein P1 (HSPD1) | ||||
| Synonyms | P60 lymphocyte protein; HuCHA60; Hsp60; Heat shock protein 60; HSP-60; Chaperonin 60; CPN60; 60 kDa heat shock protein, mitochondrial; 60 kDa chaperonin | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HSPD1 | ||||
| Biochemical Class | Chaperonin ATPase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | adenosine diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | XTWYTFMLZFPYCI-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 6022 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4PJ1 Crystal structure of the human mitochondrial chaperonin symmetrical 'football' complex | ||||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSAKDVKFGA
10 DARALMLQGV20 DLLADAVAVT30 MGPKGRTVII40 EQSWGSPKVT50 KDGVTVAKSI 60 DLKDKYKNIG70 AKLVQDVANN80 TNEEAGDGTT90 TATVLARSIA100 KEGFEKISKG 110 ANPVEIRRGV120 MLAVDAVIAE130 LKKQSKPVTT140 PEEIAQVATI150 SANGDKEIGN 160 IISDAMKKVG170 RKGVITVKDG180 KTLNDELEII190 EGMKFDRGYI200 SPYFINTSKG 210 QKCEFQDAYV220 LLSEKKISSI230 QSIVPALEIA240 NAHRKPLVII250 AEDVDGEALS 260 TLVLNRLKVG270 LQVVAVKAPG280 FGDNRKNQLK290 DMAIATGGAV300 FGEEGLTLNL 310 EDVQPHDLGK320 VGKVIVTKDD330 AMLLKGKGDK340 AQIEKRIQEI350 IEQLDVTTSE 360 YEKEKLNERL370 AKLSDGVAVL380 KVGGTSDVEV390 NEKKDRVTDA400 LNATRAAVEE 410 GIVLGGGCAL420 LRCIPALDSL430 TPANEDQKIG440 IEIIKRTLKI450 PAMTIAKNAG 460 VEGSLIVEKI470 MQSSSEVGYD480 AMAGDFVNMV490 EKGIIDPTKV500 VRTALLDAAG 510 VASLLTTAEV520 VVTEIP
|
|||||
|
|
THR30
3.490
MET31
3.586
GLY32
2.955
PRO33
3.438
LYS51
3.207
GLY53
4.694
ASP87
2.900
GLY88
3.240
THR89
2.665
THR90
3.399
THR91
2.834
ILE150
3.988
|
|||||
| PDB ID: 6MRC ADP-bound human mitochondrial Hsp60-Hsp10 football complex | ||||||
| Method | Electron microscopy | Resolution | 3.08 Å | Mutation | No | [2] |
| PDB Sequence |
GSAKDVKFGA
10 DARALMLQGV20 DLLADAVAVT30 MGPKGRTVII40 EQSWGSPKVT50 KDGVTVAKSI 60 DLKDKYKNIG70 AKLVQDVANN80 TNEEAGDGTT90 TATVLARSIA100 KEGFEKISKG 110 ANPVEIRRGV120 MLAVDAVIAE130 LKKQSKPVTT140 PEEIAQVATI150 SANGDKEIGN 160 IISDAMKKVG170 RKGVITVKDG180 KTLNDELEII190 EGMKFDRGYI200 SPYFINTSKG 210 QKCEFQDAYV220 LLSEKKISSI230 QSIVPALEIA240 NAHRKPLVII250 AEDVDGEALS 260 TLVLNRLKVG270 LQVVAVKAPG280 FGDNRKNQLK290 DMAIATGGAV300 FGEEGLTLNL 310 EDVQPHDLGK320 VGEVIVTKDD330 AMLLKGKGDK340 AQIEKRIQEI350 IEQLDVTTSE 360 YEKEKLNERL370 AKLSDGVAVL380 KVGGTSDVEV390 NEKKDRVTDA400 LNATRAAVEE 410 GIVLGGGCAL420 LRCIPALDSL430 TPANEDQKIG440 IEIIKRTLKI450 PAMTIAKNAG 460 VEGSLIVEKI470 MQSSSEVGYD480 AMAGDFVNMV490 EKGIIDPTKV500 VRTALLDAAG 510 VASLLTTAEV520 VVTEIPKE
|
|||||
|
|
THR30
4.018
MET31
2.480
GLY32
1.710
PRO33
2.717
LYS51
3.265
GLY53
4.660
ASP87
2.680
GLY88
2.460
THR89
3.128
THR90
2.429
THR91
3.555
ILE150
2.895
|
|||||
| PDB ID: 6MRD ADP-bound human mitochondrial Hsp60-Hsp10 half-football complex | ||||||
| Method | Electron microscopy | Resolution | 3.82 Å | Mutation | No | [2] |
| PDB Sequence |
GSAKDVKFGA
10 DARALMLQGV20 DLLADAVAVT30 MGPKGRTVII40 EQSWGSPKVT50 KDGVTVAKSI 60 DLKDKYKNIG70 AKLVQDVANN80 TNEEAGDGTT90 TATVLARSIA100 KEGFEKISKG 110 ANPVEIRRGV120 MLAVDAVIAE130 LKKQSKPVTT140 PEEIAQVATI150 SANGDKEIGN 160 IISDAMKKVG170 RKGVITVKDG180 KTLNDELEII190 EGMKFDRGYI200 SPYFINTSKG 210 QKCEFQDAYV220 LLSEKKISSI230 QSIVPALEIA240 NAHRKPLVII250 AEDVDGEALS 260 TLVLNRLKVG270 LQVVAVKAPG280 FGDNRKNQLK290 DMAIATGGAV300 FGEEGLTLNL 310 EDVQPHDLGK320 VGEVIVTKDD330 AMLLKGKGDK340 AQIEKRIQEI350 IEQLDVTTSE 360 YEKEKLNERL370 AKLSDGVAVL380 KVGGTSDVEV390 NEKKDRVTDA400 LNATRAAVEE 410 GIVLGGGCAL420 LRCIPALDSL430 TPANEDQKIG440 IEIIKRTLKI450 PAMTIAKNAG 460 VEGSLIVEKI470 MQSSSEVGYD480 AMAGDFVNMV490 EKGIIDPTKV500 VRTALLDAAG 510 VASLLTTAEV520 VVTEIPKE
|
|||||
|
|
THR30
3.502
MET31
2.777
GLY32
2.394
PRO33
2.607
LYS51
2.459
ASP52
4.999
GLY53
4.751
ASP87
2.663
GLY88
2.429
THR89
2.521
THR90
1.828
THR91
2.004
ALA92
4.772
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the human mitochondrial chaperonin symmetrical football complex. Proc Natl Acad Sci U S A. 2015 May 12;112(19):6044-9. | ||||
| REF 2 | Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin. Nat Commun. 2020 Apr 21;11(1):1916. | ||||
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