Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T88752 | Target Info | |||
| Target Name | Ras-related C3 botulinum toxin substrate 1 (RAC1) | ||||
| Synonyms | Cell migration-inducing gene5 protein | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | RAC1 | ||||
| Biochemical Class | Small GTPase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Guanosine-5'-Triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N | ||||
| InChI | 1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | ||||
| InChIKey | XKMLYUALXHKNFT-UUOKFMHZSA-N | ||||
| PubChem Compound ID | 135398633 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1E96 Structure of the Rac/p67phox complex | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
PQAIKCVVVG
10 DGAVGKTCLL20 ISYTTNAFPG30 EYIPTVFDNY40 SANVMVDGKP50 VNLGLWDTAG 60 LEDYDRLRPL70 SYPQTDVFLI80 CFSLVSPASF90 ENVRAKWYPE100 VRHHCPNTPI 110 ILVGTKLDLR120 DDKDTIEKLK130 EKKLTPITYP140 QGLAMAKEIG150 AVKYLECSAL 160 TQRGLKTVFD170 EAIRAVLC
|
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|
|
GLY10
4.933
ASP11
3.882
GLY12
3.633
ALA13
2.825
VAL14
3.407
GLY15
3.178
LYS16
2.937
THR17
2.911
CYS18
2.913
LEU19
4.988
PHE28
3.595
PRO29
3.625
GLY30
3.203
GLU31
4.037
TYR32
2.429
|
|||||
| PDB ID: 7USD Cryo-EM structure of D-site Rac1-bound WAVE Regulatory Complex | ||||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
QAIKCVVVGD
11 GAVGKTCLLI21 SYTTNAFSGE31 YIPTVFDNYS41 ANVMVDGKPV51 NLGLWDTAGL 61 EDYDRLRPLS71 YPQTDVFLIC81 FSLVSPASFE91 NVRAKWYPEV101 RHHCPNTPII 111 LVGTKLDLRD121 DKDTIEKLKE131 KKLTPITYPQ141 GLAMAKEIGA151 VKYLECSALT 161 QRGLKTVFDE171 AIRAVLC
|
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|
|
ASP11
4.576
GLY12
3.273
ALA13
3.103
VAL14
3.682
GLY15
2.726
LYS16
2.763
THR17
2.748
CYS18
3.169
LEU19
4.864
PHE28
3.382
SER29
2.759
GLY30
2.694
GLU31
3.948
TYR32
3.103
ILE33
4.012
|
|||||
| PDB ID: 7USE Cryo-EM structure of WAVE regulatory complex with Rac1 bound on both A and D site | ||||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
QAIKCVVVGD
11 GAVGKTCLLI21 SYTTNAFSGE31 YIPTVFDNYS41 ANVMVDGKPV51 NLGLWDTAGL 61 EDYDRLRPLS71 YPQTDVFLIC81 FSLVSPASFE91 NVRAKWYPEV101 RHHCPNTPII 111 LVGTKLDLRD121 DKDTIEKLKE131 KKLTPITYPQ141 GLAMAKEIGA151 VKYLECSALT 161 QRGLKTVFDE171 AIRAVLCP
|
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|
|
ASP11
4.402
GLY12
3.537
ALA13
2.885
VAL14
3.723
GLY15
3.024
LYS16
2.751
THR17
2.873
CYS18
3.506
PHE28
3.471
SER29
3.751
GLY30
2.494
GLU31
2.468
TYR32
2.404
ILE33
4.506
|
|||||
| PDB ID: 2WKQ Structure of a photoactivatable Rac1 containing the Lov2 C450A Mutant | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
ATTLERIEKN
414 FVITDPRLPD424 NPIIFASDSF434 LQLTEYSREE444 ILGRNARFLQ454 GPETDRATVR 464 KIRDAIDNQT474 EVTVQLINYT484 KSGKKFWNLF494 HLQPMRDQKG504 DVQYFIGVQL 514 DGTEHVRDAA524 EREGVMLIKK534 TAENIDEAAK544 ELIKCVVVGD554 GAVGKTCLLI 564 SYTTNAFPGE574 YIPTVFDNYS584 ANVMVDGKPV594 NLGLWDTAGL604 EDYDRLRPLS 614 YPQTDVFLIC624 FSLVSPASFH634 HVRAKWYPEV644 RHHCPNTPII654 LVGTKLDLRD 664 DKDTIEKLKE674 KKLTPITYPQ684 GLAMAKEIGA694 VKYLECSALT704 QRGLKTVFDE 714 AIRAVLC
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GTP or .GTP2 or .GTP3 or :3GTP;style chemicals stick;color identity;select .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:558 or .A:559 or .A:560 or .A:561 or .A:562 or .A:571 or .A:573 or .A:574 or .A:575 or .A:576 or .A:577 or .A:578 or .A:600 or .A:601 or .A:602 or .A:603 or .A:604 or .A:659 or .A:661 or .A:662 or .A:701 or .A:702 or .A:703; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY553
4.600
ASP554
3.779
GLY555
3.569
ALA556
2.914
VAL557
3.251
GLY558
2.979
LYS559
2.684
THR560
2.921
CYS561
2.770
LEU562
4.957
PHE571
3.584
GLY573
3.768
GLU574
4.448
TYR575
2.532
|
|||||
| PDB ID: 2WKP Structure of a photoactivatable Rac1 containing Lov2 Wildtype | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [3] |
| PDB Sequence |
LATTLERIEK
413 NFVITDPRLP423 DNPIIFASDS433 FLQLTEYSRE443 EILGRNCRFL453 QGPETDRATV 463 RKIRDAIDNQ473 TEVTVQLINY483 TKSGKKFWNL493 FHLQPMRDQK503 GDVQYFIGVQ 513 LDGTEHVRDA523 AEREGVMLIK533 KTAENIDEAA543 KELIKCVVVG553 DGAVGKTCLL 563 ISYTTNAFPG573 EYIPTVFDNY583 SANVMVDGKP593 VNLGLWDTAG603 LEDYDRLRPL 613 SYPQTDVFLI623 CFSLVSPASF633 HHVRAKWYPE643 VRHHCPNTPI653 ILVGTKLDLR 663 DDKDTIEKLK673 EKKLTPITYP683 QGLAMAKEIG693 AVKYLECSAL703 TQRGLKTVFD 713 EAIRAVLCPP723
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GTP or .GTP2 or .GTP3 or :3GTP;style chemicals stick;color identity;select .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:558 or .A:559 or .A:560 or .A:561 or .A:562 or .A:571 or .A:573 or .A:574 or .A:575 or .A:576 or .A:577 or .A:578 or .A:600 or .A:601 or .A:602 or .A:603 or .A:604 or .A:659 or .A:661 or .A:662 or .A:701 or .A:702 or .A:703; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY553
4.544
ASP554
3.778
GLY555
3.654
ALA556
2.775
VAL557
3.223
GLY558
2.941
LYS559
2.652
THR560
2.912
CYS561
2.754
LEU562
4.910
PHE571
3.709
GLY573
2.661
GLU574
4.185
TYR575
2.571
|
|||||
| PDB ID: 2WKR Structure of a photoactivatable Rac1 containing the Lov2 C450M Mutant | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [3] |
| PDB Sequence |
ATTLERIEKN
414 FVITDPRLPD424 NPIIFASDSF434 LQLTEYSREE444 ILGRNMRFLQ454 GPETDRATVR 464 KIRDAIDNQT474 EVTVQLINYT484 KSGKKFWNLF494 HLQPMRDQKG504 DVQYFIGVQL 514 DGTEHVRDAA524 EREGVMLIKK534 TAENIDEAAK544 ELIKCVVVGD554 GAVGKTCLLI 564 SYTTNAFPGE574 YIPTVFDNYS584 ANVMVDGKPV594 NLGLWDTAGL604 EDYDRLRPLS 614 YPQTDVFLIC624 FSLVSPASFH634 HVRAKWYPEV644 RHHCPNTPII654 LVGTKLDLRD 664 DKDTIEKLKE674 KKLTPITYPQ684 GLAMAKEIGA694 VKYLECSALT704 QRGLKTVFDE 714 AIRAVLC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GTP or .GTP2 or .GTP3 or :3GTP;style chemicals stick;color identity;select .A:553 or .A:554 or .A:555 or .A:556 or .A:557 or .A:558 or .A:559 or .A:560 or .A:561 or .A:562 or .A:571 or .A:573 or .A:574 or .A:575 or .A:576 or .A:577 or .A:578 or .A:600 or .A:601 or .A:602 or .A:603 or .A:604 or .A:659 or .A:661 or .A:662 or .A:701 or .A:702 or .A:703; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY553
4.534
ASP554
3.669
GLY555
3.428
ALA556
2.705
VAL557
3.371
GLY558
3.067
LYS559
2.727
THR560
2.898
CYS561
2.823
LEU562
4.830
PHE571
3.713
GLY573
4.168
GLU574
4.552
TYR575
2.684
|
|||||
| PDB ID: 5HZH Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [4] |
| PDB Sequence |
AIKCVVVGDG
12 AVGKTCLLIS22 YTTNAFPYIP34 TVFDNYSANV44 MVDGSTTLER57 IEKNFVITDP 67 RLPDNPIIFA77 SDSFLQLTEY87 SREEILGRNA97 RFLQGPETDR107 ATVRKIRDAI 117 DNQTEVTVQL127 INYTKSGKKF137 WNLFHLQPMR147 DQKGDVQYFI157 GVQLDGTEHV 167 RDAAEREGVM177 LIKKTAENID187 EAAKELGSGG197 KPVNLGLWDT207 AGLEDYDRLR 217 PLSYPQTDVF227 LICFSLVSPA237 SFENVRAKWY247 PEVRHHCPNT257 PIILVGTKLD 267 LRDDKDTIEK277 LKEKKLTPIT287 YPQGLAMAKE297 IGAVKYLECS307 ALTQRGLKTV 317 FDEAIRAVLC327
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GTP or .GTP2 or .GTP3 or :3GTP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:32 or .A:33 or .A:34 or .A:35 or .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:265 or .A:267 or .A:268 or .A:307 or .A:308 or .A:309; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP11
3.992
GLY12
3.513
ALA13
2.698
VAL14
3.192
GLY15
2.770
LYS16
2.511
THR17
2.838
CYS18
2.794
PHE28
3.550
PRO29
4.970
TYR32
3.317
ILE33
3.916
PRO34
3.517
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the TPR domain of p67phox in complex with Rac.GTP. Mol Cell. 2000 Oct;6(4):899-907. | ||||
| REF 2 | Structures reveal a key mechanism of WAVE regulatory complex activation by Rac1 GTPase. Nat Commun. 2022 Sep 16;13(1):5444. | ||||
| REF 3 | A genetically encoded photoactivatable Rac controls the motility of living cells. Nature. 2009 Sep 3;461(7260):104-8. | ||||
| REF 4 | Engineering extrinsic disorder to control protein activity in living cells. Science. 2016 Dec 16;354(6318):1441-1444. | ||||
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