Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T47351 | Target Info | |||
| Target Name | ADP-ribosylation factor 1 (ARF1) | ||||
| Synonyms | PVNH8 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ARF1 | ||||
| Biochemical Class | Small GTPase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Guanosine-5'-Diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N | ||||
| InChI | 1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | ||||
| InChIKey | QGWNDRXFNXRZMB-UUOKFMHZSA-N | ||||
| PubChem Compound ID | 135398619 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1HUR HUMAN ADP-RIBOSYLATION FACTOR 1 COMPLEXED WITH GDP, FULL LENGTH NON-MYRISTOYLATED | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
GNIFANLFKG
11 LFGKKEMRIL21 MVGLDAAGKT31 TILYKLKLGE41 IVTTIPTIGF51 NVETVEYKNI 61 SFTVWDVGGQ71 DKIRPLWRHY81 FQNTQGLIFV91 VDSNDRERVN101 EAREELMRML 111 AEDELRDAVL121 LVFANKQDLP131 NAMNAAEITD141 KLGLHSLRHR151 NWYIQATCAT 161 SGDGLYEGLD171 WLSNQLRNQK181
|
|||||
|
|
||||||
| PDB ID: 7DN8 Crystal structure of Salmonella effector SopF in complex with ARF1 | ||||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | Yes | [2] |
| PDB Sequence |
RPEMRILMVG
24 LDAAGKTTIL34 YKLKLGEIVT44 TIPTIGFNVE54 TVEYKNISFT64 VWDVGGLDKI 74 RPLWRHYFQN84 TQGLIFVVDS94 NDRERVNEAR104 EELMRMLAED114 ELRDAVLLVF 124 ANKQDLPNAM134 NAAEITDKLG144 LHSLRHRNWY154 IQATCATSGD164 GLYEGLDWLS 174 NQL
|
|||||
|
|
||||||
| PDB ID: 7MGE Structure of C9orf72:SMCR8:WDR41 in complex with ARF1 | ||||||
| Method | Electron microscopy | Resolution | 3.94 Å | Mutation | No | [3] |
| PDB Sequence |
ATEMRILMVG
24 LDAAGKTTIL34 YKLKLGEIVT44 TIPTIGFNVE54 TVEYKNISFT64 VWDVGGQDKI 74 RPLWRHYFQN84 TQGLIFVVDS94 NDRERVNEAR104 EELMRMLAED114 ELRDAVLLVF 124 ANKQDLPNAM134 NAAEITDKLG144 LHSLRHRNWY154 IQATCATSGD164 GLYEGLDWLS 174 NQLRNQ
|
|||||
|
|
||||||
| PDB ID: 7DN9 Crystal structure of Salmonella effector in complex with NAD and host co-factor ARF1 | ||||||
| Method | X-ray diffraction | Resolution | 3.29 Å | Mutation | Yes | [2] |
| PDB Sequence |
EMRILMVGLD
26 AAGKTTILYK36 LKLGEIVTTI46 PTIGFNVETV56 EYKNISFTVW66 DVGGLDKIRP 76 LWRHYFQNTQ86 GLIFVVDSND96 RERVNEAREE106 LMRMLAEDEL116 RDAVLLVFAN 126 KQDLPNAMNA136 AEITDKLGLH146 SLRHRNWYIQ156 ATCATSGDGL166 YEGLDWLSNQ 176 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .B:25 or .B:26 or .B:27 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:45 or .B:48 or .B:67 or .B:126 or .B:127 or .B:128 or .B:129 or .B:130 or .B:158 or .B:159 or .B:160 or .B:161; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1U81 Delta-17 Human ADP Ribosylation Factor 1 Complexed with GDP | ||||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [4] |
| PDB Sequence |
MRILMVGLDA
27 AGKTTILYKL37 KLGEIVTTIP47 TIGFNVETVE57 YKNISFTVWD67 VGGQDKIRPL 77 WRHYFQNTQG87 LIFVVDSNDR97 ERVNEAREEL107 MRMLAEDELR117 DAVLLVFANK 127 QDLPNAMNAA137 EITDKLGLHS147 LRHRNWYIQA157 TCATSGDGLY167 EGLDWLSNQL 177 RNQK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:25 or .A:26 or .A:27 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:67 or .A:126 or .A:127 or .A:130 or .A:160 or .A:161; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1RE0 Structure of ARF1-GDP bound to Sec7 domain complexed with Brefeldin A | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [5] |
| PDB Sequence |
MRILMVGLDA
27 AGKTTILYKL37 KLGEIVTTIP47 TIGFNVETVE57 YKNISFTVWD67 VGGQDKIRPL 77 WRHYFQNTQG87 LIFVVDSNDR97 ERVNEAREEL107 MRMLAEDELR117 DAVLLVFANK 127 QDLPNAMNAA137 EITDKLGLHS147 LRHRNWYIQA157 TCATSGDGLY167 EGLDWLSNQL 177 RN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:25 or .A:26 or .A:27 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:33 or .A:126 or .A:127 or .A:128 or .A:129 or .A:130 or .A:158 or .A:159 or .A:160 or .A:161; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3O47 Crystal structure of ARFGAP1-ARF1 fusion protein | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [6] |
| PDB Sequence |
RTRKVLKEVR
14 VQDENNVCFE24 CGAFNPQWVS34 VTYGIWICLE44 CSGRHRGLGV54 HLSFVRSVTM 64 DKWKDIELEK74 MKAGGNAKFR84 EFLESQEDYD94 PCWSLQEKYN104 SRAAALFRDK 114 VVALAEGREW124 SLESWTPPQK145 KEMRILMVGL155 DAAGKTTILY165 KLKLGEIVTT 175 IPTIGFNVET185 VEYKNISFTV195 WDVGRPLWRH210 YFQNTQGLIF220 VVDSNDRERV 230 NEAREELMRM240 LAEDELRDAV250 LLVFANKQDL260 PNAMNAAEIT270 DKLGLHSLRH 280 RNWYIQATCA290 TSGDGLYEGL300 DWLSNQLRN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:155 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:197 or .A:256 or .A:257 or .A:259 or .A:260 or .A:288 or .A:289 or .A:290 or .A:291; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the human ADP-ribosylation factor 1 complexed with GDP. Nature. 1994 Dec 15;372(6507):704-8. | ||||
| REF 2 | ARF GTPases activate Salmonella effector SopF to ADP-ribosylate host V-ATPase and inhibit endomembrane damage-induced autophagy. Nat Struct Mol Biol. 2022 Jan;29(1):67-77. | ||||
| REF 3 | Structural basis for the ARF GAP activity and specificity of the C9orf72 complex. Nat Commun. 2021 Jun 18;12(1):3786. | ||||
| REF 4 | Conformational changes in human Arf1 on nucleotide exchange and deletion of membrane-binding elements. J Biol Chem. 2004 Nov 12;279(46):48307-18. | ||||
| REF 5 | Crystal structure of ARF1*Sec7 complexed with Brefeldin A and its implications for the guanine nucleotide exchange mechanism. Mol Cell. 2003 Dec;12(6):1403-11. | ||||
| REF 6 | Crystal structure of ARFGAP1-ARF1 fusion protein | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.