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 | flavin mononucleotide | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O | ||||
| InChI | 1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 | ||||
| InChIKey | FVTCRASFADXXNN-SCRDCRAPSA-N | ||||
| PubChem Compound ID | 643976 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2WKQ Structure of a photoactivatable Rac1 containing the Lov2 C450A Mutant | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [1] |
| 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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|
|
VAL416
3.465
ILE417
4.988
THR418
3.522
ASN425
3.214
PHE434
4.849
ASN449
2.785
ALA450
3.600
ARG451
2.832
LEU453
3.397
GLN454
2.859
VAL463
3.403
ILE466
3.616
|
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| PDB ID: 2WKP Structure of a photoactivatable Rac1 containing Lov2 Wildtype | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| 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
|
|||||
|
|
VAL416
3.479
THR418
3.549
ASN425
3.337
PHE434
4.857
ASN449
2.834
CYS450
3.495
ARG451
2.729
LEU453
3.569
GLN454
2.837
ARG460
4.609
VAL463
3.400
ILE466
3.650
|
|||||
| PDB ID: 2WKR Structure of a photoactivatable Rac1 containing the Lov2 C450M Mutant | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [1] |
| 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
|
|||||
|
|
VAL416
3.478
THR418
3.623
ASN425
3.390
PHE434
4.851
ASN449
2.934
MET450
2.603
ARG451
2.951
LEU453
3.461
GLN454
2.701
VAL463
3.289
ILE466
3.591
|
|||||
| PDB ID: 5HZH Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [2] |
| 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
|
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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 .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:63 or .A:64 or .A:65 or .A:72 or .A:81 or .A:96 or .A:97 or .A:98 or .A:100 or .A:101 or .A:107 or .A:110 or .A:113 or .A:114 or .A:117 or .A:127 or .A:129 or .A:139 or .A:141 or .A:143 or .A:156 or .A:157 or .A:158 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL63
3.550
ILE64
4.788
THR65
3.250
ASN72
3.236
PHE81
4.520
ASN96
2.892
ALA97
3.509
ARG98
2.518
LEU100
3.252
GLN101
2.382
ARG107
4.246
VAL110
3.267
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A genetically encoded photoactivatable Rac controls the motility of living cells. Nature. 2009 Sep 3;461(7260):104-8. | ||||
| REF 2 | Engineering extrinsic disorder to control protein activity in living cells. Science. 2016 Dec 16;354(6318):1441-1444. | ||||
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