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Receptor
PDB id Resolution Class Description Source Keywords
1XXA 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE C-TERMINAL DOMAIN OF ESCHERICHIA COLI ARGININE REPRESSOR/ L- ARGININE COMPLEX; PB DERIVATIVE ESCHERICHIA COLI K12 COMPLEX (DNA BINDING PROTEIN/PEPTIDE)
Ref.: STRUCTURE OF THE OLIGOMERIZATION AND L-ARGININE BINDING DOMAIN OF THE ARGININE REPRESSOR OF ESCHERICHIA COLI. J.MOL.BIOL. V. 256 377 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:1;
A:157;
C:1;
D:1;
E:1;
F:1;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
PB C:416;
C:419;
D:418;
F:417;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
207.2 Pb [Pb+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XXA 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE C-TERMINAL DOMAIN OF ESCHERICHIA COLI ARGININE REPRESSOR/ L- ARGININE COMPLEX; PB DERIVATIVE ESCHERICHIA COLI K12 COMPLEX (DNA BINDING PROTEIN/PEPTIDE)
Ref.: STRUCTURE OF THE OLIGOMERIZATION AND L-ARGININE BINDING DOMAIN OF THE ARGININE REPRESSOR OF ESCHERICHIA COLI. J.MOL.BIOL. V. 256 377 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1XXA - ARG C6 H15 N4 O2 C(C[C@@H](....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1XXA - ARG C6 H15 N4 O2 C(C[C@@H](....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1B4B - ARG C6 H15 N4 O2 C(C[C@@H](....
2 1XXA - ARG C6 H15 N4 O2 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG 1 1
2 DAR 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 VUR 0.585366 0.810811
10 HAR 0.585366 0.780488
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2MR 0.545455 0.864865
15 2YH 0.545455 0.65
16 3KJ 0.545455 0.680851
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 HRG 0.5 0.941176
25 JM7 0.5 0.731707
26 2KJ 0.489796 0.727273
27 D20 0.489796 0.744186
28 AS1 0.489796 0.8
29 ORN 0.472222 0.757576
30 JM8 0.470588 0.714286
31 JM6 0.470588 0.697674
32 JM4 0.470588 0.697674
33 LYS ARG LYS ARG LYS ARG LYS ARG 0.463415 0.848485
34 MLZ 0.463415 0.65
35 JM5 0.461538 0.714286
36 DLY 0.447368 0.735294
37 DAB 0.441176 0.685714
38 LYS 0.435897 0.764706
39 0TF 0.428571 0.619048
40 2YG 0.42 0.619048
41 PG3 0.416667 0.756757
42 6CL 0.414634 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found with APoc: 212
This union binding pocket(no: 1) in the query (biounit: 1xxa.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3QWI NAP None
2 3QWI CUE None
3 6ARJ SAH None
4 2IYF UDP None
5 1FDJ 2FP None
6 1FDJ 13P None
7 1G0N NDP None
8 1G0N PHH None
9 6BQC LOP None
10 6ARJ BW4 None
11 5K53 STE None
12 4ONQ SFG None
13 1YKJ FAD None
14 1KDO C None
15 1LH0 PRP None
16 6CAM BGC None
17 1MID LAP None
18 5F1V 3VN None
19 3C3N FMN None
20 3RV5 DXC None
21 6CI9 NAP None
22 2VOH CIT None
23 4WGF HX2 None
24 4V1F BQ1 None
25 3K5I ADP None
26 3JUQ AJD None
27 3JUQ AKD None
28 5CX6 CDP None
29 2E1A MSE None
30 1H5Q NAP None
31 5NUL FMN None
32 4YMU ARG None
33 2VZ0 D64 2.5641
34 2VZ0 NAP 2.5641
35 4CM9 NAP 2.5641
36 5K6A NAP 2.5641
37 2WD7 NAP 2.5641
38 4CMI NAP 2.5641
39 3FWN ATR 2.5641
40 4CLR NAP 2.5641
41 4CME NAP 2.5641
42 5JCJ NAP 2.5641
43 3S5W FAD 2.5641
44 3JQ7 NAP 2.5641
45 3JQ9 NAP 2.5641
46 3BMQ NAP 2.5641
47 4CM4 NAP 2.5641
48 3JQF NAP 2.5641
49 5JDI NAP 2.5641
50 3JQB NAP 2.5641
51 3JQ8 NAP 2.5641
52 3BMO NAP 2.5641
53 5JDC NAP 2.5641
54 1EP2 ORO 3.84615
55 5XFV FMN 3.84615
56 4L2H AR6 AR6 3.84615
57 2GQT FAD 3.84615
58 5LRT ADP 3.84615
59 1RDT L79 3.84615
60 2CHT TSA 3.84615
61 3KIF GDL 3.84615
62 5NM7 GLY 3.84615
63 1V8B NAD 3.84615
64 6CEP NAD 3.84615
65 6CEP OXM 3.84615
66 4TR9 38D 3.84615
67 5Z3I ADE 5.12821
68 1OVD FMN 5.12821
69 1OVD ORO 5.12821
70 4Q0A 4OA 5.12821
71 6FCH PRP 5.12821
72 5KVA SAM 5.12821
73 4PGK Y69 5.12821
74 5TBM 79A 5.12821
75 1CX9 NHP 6.41026
76 3KJS DQ1 6.41026
77 3X44 PUS 6.41026
78 1GQ2 NAP 6.41026
79 1PZX PLM 6.41026
80 5WUW NAP 6.41026
81 6F6E PLM 6.41026
82 4WZH FMN 6.41026
83 3KJS NAP 6.41026
84 2FXV 5GP 7.69231
85 4GA6 AMP 7.69231
86 4Y30 SAH 7.69231
87 4Y30 49L 7.69231
88 2Q28 TPP 7.69231
89 3MJY FMN 7.69231
90 3MJY IJZ 7.69231
91 1AOE GW3 7.69231
92 1AOE NDP 7.69231
93 1GR0 NAD 7.69231
94 2PS1 PRP 7.69231
95 2H92 C5P 7.69231
96 6H3O FAD 7.69231
97 4Y1B NAP 7.69231
98 2HSA FMN 7.69231
99 2PS1 ORO 7.69231
100 4U60 SIA 7.69231
101 3JDW ORN 7.69231
102 1ZEM NAD 7.69231
103 3TMK T5A 7.69231
104 1PNO NAP 7.69231
105 4EIL NDP 7.69231
106 2HJR APR 7.69231
107 5OSW DIU 8.97436
108 6HH6 A3R 8.97436
109 4AT0 FAD 8.97436
110 5OSW AE4 8.97436
111 4JLS 3ZE 8.97436
112 5LAU AR6 8.97436
113 1Q8P MAN MMA 8.97436
114 3EE4 MYR 8.97436
115 4ZBR NPS 8.97436
116 5TUF FAD 8.97436
117 2JJK R15 8.97436
118 4D9C PMP 8.97436
119 5TE1 7A2 8.97436
120 2PHW MAN MAN 8.97436
121 5D85 P1T 8.97436
122 2PHR MAN MAN 8.97436
123 2GND MAN MMA 8.97436
124 5FQK 6NT 8.97436
125 2EXX NAP 10.2564
126 4EMI FAD 10.2564
127 1RP0 AHZ 10.2564
128 1N62 FAD 10.2564
129 5LWY OLB 10.2564
130 5U5G NAP 10.2564
131 5H06 MAL 10.2564
132 5Y72 DST 10.2564
133 6CUZ FEV 10.2564
134 4MRP GSH 10.2564
135 6AMI TRP 10.2564
136 3QM1 ZYC 10.2564
137 4UCC ZKW 12.8205
138 6ARY FLC 12.8205
139 5K52 OCD 12.8205
140 3H4V DVP 12.8205
141 3H4V NAP 12.8205
142 5Z2L NDP 12.8205
143 3OIX FMN 12.8205
144 1GZ4 ATP 12.8205
145 5CG1 NAD BBN 14.1026
146 4J56 FAD 14.1026
147 3IID APR 14.1026
148 2D24 XYS XYS 14.1026
149 1P4V GLY 14.1026
150 1J0D 5PA 15.3846
151 1RJW ETF 15.3846
152 1UUY PPI 15.3846
153 1D4D FAD 15.3846
154 3COW 52H 15.3846
155 3NRZ FAD 15.3846
156 3BW2 FMN 15.3846
157 5OC1 FAD 16.6667
158 1LDN NAD 16.6667
159 1T3Q FAD 16.6667
160 6C2Z P1T 16.6667
161 2GAG NAD 16.6667
162 4Y9J FAD 16.6667
163 3VC3 C6P 16.6667
164 4YSX FAD 17.9487
165 5ZYN FAD 17.9487
166 1BZY IMU 17.9487
167 1Q19 APC 17.9487
168 4POO SAM 19.2308
169 1RM6 PCD 19.2308
170 2E7Z MGD 19.2308
171 1RM6 FAD 19.2308
172 1JA9 NDP 19.2308
173 1LDM NAD 19.2308
174 4O0L NDP 19.2308
175 3QF7 ANP 20
176 1V7C HEY 20.5128
177 5TS5 FAD 20.5128
178 3WQT ANP 20.5128
179 3RG9 NDP 20.5128
180 2BTO GTP 20.5128
181 3GGO ENO 21.7949
182 3GGO NAI 21.7949
183 3O3R NAP 21.7949
184 2CVZ NDP 21.7949
185 1WP4 NDP 21.7949
186 1O94 ADP 21.7949
187 6GN6 MAL 21.7949
188 1BW9 PPY 23.0769
189 4B7X NAP 23.0769
190 1C1X HFA 23.0769
191 3PNL ADP 23.0769
192 4YNU LGC 24.359
193 4RC8 STE 24.359
194 1X87 NAD 24.359
195 5G5G FAD 25.641
196 2E2P ADP 25.641
197 4JK3 NAD 25.641
198 5MR6 FAD 26.9231
199 1NVM NAD 26.9231
200 4IXH IMP 26.9231
201 1N2X SAM 28.2051
202 1T0S BML 29.4872
203 1Q9I FAD 29.4872
204 1Q9I TEO 29.4872
205 4L2I FAD 29.4872
206 3ZOD FMN 32.0513
207 3ZOD HQE 32.0513
208 4C3Y FAD 39.7436
209 1U72 MTX 39.7436
210 1U72 NDP 39.7436
211 4C3Y ANB 39.7436
212 1PJ6 FOL 42.3077
Pocket No.: 2; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found with APoc: 55
This union binding pocket(no: 2) in the query (biounit: 1xxa.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2OFW ADX None
2 1UJ5 5RP None
3 5CB3 APR None
4 1KNM LAT None
5 5N5U 7N8 None
6 2FLI DX5 None
7 1C9K 5GP None
8 1SBR VIB None
9 4O08 PO6 3.84615
10 5NDF LU2 6.41026
11 5NDF UDP 6.41026
12 4U60 SIA GAL NGA 7.69231
13 3OVR 5SP 7.69231
14 4L8F MTX 7.69231
15 5Z20 NAI 7.69231
16 4RW3 PLM 7.69231
17 4IP7 FBP 7.69231
18 2Q8Z NUP 7.69231
19 3GFB NAD 8.97436
20 4R74 F6P 8.97436
21 6G1P CIT 10.2564
22 6AM8 PLT 10.2564
23 1REO FAD 10.2564
24 3CV7 NAP 10.2564
25 1M2Z BOG 10.2564
26 1KEV NDP 11.5385
27 4Q4K FMN 11.5385
28 1OZH HE3 11.5385
29 4YRY FAD 12.8205
30 3GPO APR 12.8205
31 2Q7V FAD 14.1026
32 4N49 SAM 14.1026
33 4MIG G3F 14.1026
34 3HRD FAD 15.3846
35 3EUT DCR 15.3846
36 4KXQ APR 15.3846
37 4RLT FSE 15.3846
38 1HSK FAD 16.6667
39 3VGL ANP 16.6667
40 3K8D CTP 17.9487
41 3MBI HSX 17.9487
42 1JG3 ADN 19.2308
43 2IID PHE 19.2308
44 2IID FAD 19.2308
45 1QO8 FAD 20.5128
46 4QYS PLP SEP 20.5128
47 5G5G MCN 25.641
48 4D9M 0JO 26.9231
49 1UPA TPP 26.9231
50 2IHU TP9 26.9231
51 2BLE 5GP 26.9231
52 2IHT TPP 26.9231
53 4L2I NAD 29.4872
54 3WYF GTP 41.0256
55 3WYG GTP 41.0256
Pocket No.: 3; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found with APoc: 76
This union binding pocket(no: 3) in the query (biounit: 1xxa.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1ADO 13P None
2 1JQ3 AAT None
3 3DUV KDO None
4 2DTX BMA None
5 1UVC STE None
6 5L0R UDP None
7 4J5R A1R None
8 5LV1 78T None
9 1QZR ANP None
10 1CZR FMN None
11 1T57 FMN None
12 1MGP PLM 3.84615
13 1G4U AF3 3.84615
14 1EP2 FMN 3.84615
15 2V7Y ADP 5.12821
16 6F3M NAD 5.12821
17 2VVL FAD 5.12821
18 2ZB3 NDP 5.12821
19 1LLO NAA NAA AMI 5.12821
20 3Q3H UDP 5.12821
21 1EU8 TRE 5.12821
22 3ZJ0 ACO 5.12821
23 4ZOH MCN 6.41026
24 4KM2 TOP 7.69231
25 5V2J 7WV 7.69231
26 5V2J UDP 7.69231
27 3UMV FAD 7.69231
28 2VCH UDP 7.69231
29 2Z6I FMN 7.69231
30 2Z6J FMN 7.69231
31 5TDF 7A3 8.97436
32 3Q9T FAY 8.97436
33 5XJ7 87O 8.97436
34 3FV1 DYH 8.97436
35 2BUP ATP 8.97436
36 2BUP ADP 8.97436
37 4E1O PLP PVH 8.97436
38 6G3R ADP 8.97436
39 2BMB PMM 8.97436
40 2Q0L FAD 10.2564
41 2UUU PL3 10.2564
42 4ZCC NAI 10.2564
43 4ZCC FAD 10.2564
44 4EDF UPG 10.2564
45 5NUE NAD 10.2564
46 3PF7 MLA 10.2564
47 2AEL SAZ 11.5385
48 3N17 NAG NAG 11.5385
49 3PC3 P1T 11.5385
50 3KMZ EQO 12.8205
51 6FX0 E9T 12.8205
52 5IE3 OXD 12.8205
53 5IE3 AMP 12.8205
54 5OBU ANP 12.8205
55 6GAS FAD 14.1026
56 4X9X OLA 14.1026
57 3ZEI AWH 14.1026
58 5JE8 NAD 14.1026
59 3FJO FMN 14.1026
60 3VEH 0GA 15.3846
61 1ZXM ANP 15.3846
62 6BWL NAD 16.6667
63 4IDN GNP 16.6667
64 5WS9 AMP 17.9487
65 4B2D FBP 17.9487
66 4CDN FO1 19.2308
67 4CDN FAD 19.2308
68 2C31 TZD 20.5128
69 3QFU ADP 21.7949
70 3AD8 NAD 21.7949
71 1D6S PLP MET 21.7949
72 4OKZ 3E9 25.641
73 5L0S UDP 26.1905
74 6EOF ADP 28.2051
75 4H2D FMN 32.0513
76 6F9Q NAD 35.8974
Pocket No.: 4; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found with APoc: 54
This union binding pocket(no: 4) in the query (biounit: 1xxa.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5XDT MB3 None
2 1XX4 BAM None
3 1FRB ZST None
4 1XRO LEU None
5 5UAV NDP None
6 2IMG MLT None
7 1D1G NDP None
8 2GCG NDP None
9 5BO9 CSF None
10 2Z9C DTC None
11 2Z9C FMN None
12 5DXV NAP None
13 3EWR APR None
14 4N14 WR7 None
15 2F5X ASP 2.5641
16 4F06 PHB 3.84615
17 1EKO NAP 3.84615
18 3NKS FAD 3.84615
19 1Z0S ATP 6.41026
20 2FGE ALA ALA LEU THR ARG ALA 6.41026
21 6DWI HD4 6.58436
22 5EZ7 FAD 7.69231
23 2CNE DFJ 7.69231
24 4CL6 7SB 7.69231
25 1HYH NAD 7.69231
26 2PV7 NAD 7.69231
27 2QWO ADP 8.97436
28 2OG2 MLI 8.97436
29 4OR7 NAP 8.97436
30 3U2U UDP 8.97436
31 2CI5 HCS 8.97436
32 4JB1 FAD 10.2564
33 4JB1 NAP 10.2564
34 5TUK FAD 10.2564
35 4UMJ BFQ 10.2564
36 3RUV ANP 10.2564
37 5YU3 NAD 11.5385
38 5YU3 PRO 11.5385
39 2V51 ATP 11.5385
40 1E8G FAD 12.8205
41 5OBY ANP 12.8205
42 1FFU FAD 12.8205
43 2X1L MET 12.8205
44 4I5I NAD 15.3846
45 3IX9 NDP 16.6667
46 6HKE MLT 17.9487
47 6HKE LMR 17.9487
48 5OCM NAP 20.5128
49 1W8S FBP 21.7949
50 1NAA 6FA 23.0769
51 2MBR EPU 24.359
52 2MBR FAD 24.359
53 2YG3 FAD 26.9231
54 1T5B FMN 26.9231
Pocket No.: 5; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found with APoc: 31
This union binding pocket(no: 5) in the query (biounit: 1xxa.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4MXP DB4 None
2 5BO9 SIA GAL NGS None
3 5DUS APR None
4 1U7Z PMT None
5 3KU0 ADE None
6 2QES ADE None
7 1VPV PLM 3.84615
8 1R37 NAD 5.12821
9 4ZOH FAD 6.41026
10 1FL2 FAD 6.41026
11 4B0T ADP 6.41026
12 1IBR GNP 6.41026
13 1XHL NDP 7.69231
14 4UZI IMD 8.97436
15 4TX6 38B 8.97436
16 1UKG MMA 8.97436
17 6F7L FAD 10.2564
18 2UUU FAD 10.2564
19 3TKA SAM 10.2564
20 1WA5 GTP 12.8205
21 2ZYJ PGU 12.8205
22 1GV0 NAD 12.8205
23 1Q3Q ANP 14.1026
24 5O2D 9HH 14.1026
25 4U8P UDP 15.3846
26 5FJN FAD 19.2308
27 3GJX GTP 19.2308
28 3RG9 WRA 20.5128
29 5LU5 M7P 21.7949
30 3C3Y SAH 29.4872
31 3M1I GTP 41.0256
Pocket No.: 6; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found with APoc: 20
This union binding pocket(no: 6) in the query (biounit: 1xxa.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5VN0 FAD None
2 2FAV APR None
3 3W54 RNB None
4 3WXL ADP 2.5641
5 5Z75 NAD 6.41026
6 2ZRU FMN 8.97436
7 3CV7 C2U 10.2564
8 1WOG 16D 11.5385
9 1D4O NAP 11.5385
10 1DJL NAP 11.5385
11 5EJL C2E 12.8205
12 4DM8 REA 12.8205
13 3KA2 2NC 15.3846
14 1PS9 FAD 17.9487
15 5FJN BE2 19.2308
16 2CUN 3PG 19.2308
17 2ZXG S23 21.7949
18 5K4W THR 24.359
19 5K4W NAI 24.359
20 2GJ8 ALF GDP 24.359
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