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Receptor
PDB id Resolution Class Description Source Keywords
1N13 1.4 Å EC: 4.1.1.19 THE CRYSTAL STRUCTURE OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASHII METHANOCALDOCOCCUS JANNASCHII PYRUVOYL GROUP PYRUVATE ARGININE DECARBOXYLASE AGMATINE ARGININE LYASE
Ref.: PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII: CRYSTAL STRUCTURES OF THE SELF-CLEAVED AND S53A PROENZYME FORMS STRUCTURE V. 11 285 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AG2 B:7011;
D:7015;
F:7016;
H:7012;
J:7013;
L:7014;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
130.191 C5 H14 N4 C(CCN...
MRD B:7006;
D:7001;
D:7008;
F:7005;
H:7003;
H:7007;
J:7004;
L:7002;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N13 1.4 Å EC: 4.1.1.19 THE CRYSTAL STRUCTURE OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASHII METHANOCALDOCOCCUS JANNASCHII PYRUVOYL GROUP PYRUVATE ARGININE DECARBOXYLASE AGMATINE ARGININE LYASE
Ref.: PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII: CRYSTAL STRUCTURES OF THE SELF-CLEAVED AND S53A PROENZYME FORMS STRUCTURE V. 11 285 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1N13 - AG2 C5 H14 N4 C(CCNC(=N)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1N13 - AG2 C5 H14 N4 C(CCNC(=N)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1N13 - AG2 C5 H14 N4 C(CCNC(=N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AG2; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AG2 1 1
2 GZZ 0.5 0.862069
3 GVA 0.470588 0.78125
4 IAR 0.416667 0.727273
5 JX7 0.416667 0.666667
6 HRG 0.410256 0.757576
7 19N 0.4 0.625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N13; Ligand: AG2; Similar sites found with APoc: 240
This union binding pocket(no: 1) in the query (biounit: 1n13.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3D78 NBB None
2 3X1M COA None
3 1UO5 PIH None
4 3WR7 COA None
5 2Y9G LBT None
6 2Y9G LAT None
7 1UO4 PIH None
8 5OGX FAD None
9 4ZVV GN0 None
10 4ZVV NAD None
11 4MNS 2AX None
12 3KP6 SAL None
13 3RV5 DXC None
14 1SR7 MOF None
15 3QLM PLM None
16 3ZLR X0B None
17 4O4Z N2O None
18 5HCV 60R None
19 4K49 HFQ None
20 2EIX FAD None
21 1QK3 5GP None
22 1FK5 OLA None
23 6B5Q PPI CZS 2KY MLY 1XY None
24 2HJ3 FAD None
25 4WG0 CHD None
26 3ZZL TRP None
27 2D5X L35 1.76991
28 4UA3 COA 1.76991
29 5NTW 98N 1.76991
30 2J1P GRG 1.76991
31 4W4S B29 1.76991
32 2IL4 COA 1.94175
33 1MID LAP 2.1978
34 4MRP GSH 2.65487
35 5YIC 8VO 2.65487
36 4ITH RCM 2.65487
37 2QE0 NAP 2.65487
38 6BMS PLM 2.65487
39 3WCA FPS 2.65487
40 1NHZ 486 2.65487
41 2HPL ASP ASP LEU TYR GLY 3
42 3TO7 COA 3.53982
43 2PIA FMN 3.53982
44 5LGA 6VH 3.53982
45 2VVT I24 3.53982
46 1W4R TTP 3.53982
47 5YLY FAD 3.53982
48 5MWY YNU 3.53982
49 2GWH PCI 3.84615
50 5HVA DUP 4.28571
51 4ZFL 4NK 4.42478
52 1OYB HBA 4.42478
53 1OYB FMN 4.42478
54 5LXI GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 4.42478
55 3G2Y GF4 4.42478
56 3GFZ FMN 4.42478
57 5X3R 7Y3 4.42478
58 3RET SAL 4.9505
59 3RET PYR 4.9505
60 1N07 FMN 5.30973
61 2OKL BB2 5.30973
62 2WH8 II2 5.30973
63 1Q7E MET 5.30973
64 1GUZ NAD 5.30973
65 2GJ3 FAD 5.30973
66 1FQK GDP 5.30973
67 1UVC STE 5.49451
68 1XZ3 ICF 5.76923
69 3KV8 FAH 5.76923
70 4WGF HX2 5.76923
71 2Q8G AZX 5.76923
72 1QNF FAD 5.76923
73 1VGV UD1 5.76923
74 1GZF NAD 5.76923
75 1IG3 VIB 5.76923
76 3MJH GTP 5.76923
77 3RMK BML 6.19469
78 3HCN CHD 6.19469
79 4CDN FO1 6.19469
80 4CDN FAD 6.19469
81 4RC8 STE 6.19469
82 3T58 FAD 7.07965
83 6CEP NAD 7.07965
84 2HSA FMN 7.07965
85 5UFS 1TA 7.07965
86 4HBM 0Y7 7.5
87 4F07 FAD 7.69231
88 4TMC FMN 7.69231
89 3WHB DCC 7.69231
90 5J6A P46 7.69231
91 2XNJ NAP 7.9646
92 4G86 BNT 7.9646
93 3O01 DXC 7.9646
94 4KOT CE3 7.9646
95 4U9W COA 7.9646
96 5O0X FAD 7.9646
97 2XNJ FAD 7.9646
98 3GKJ HC3 8.84956
99 6DVH FMN 8.84956
100 2DTX BMA 8.84956
101 4PYW ACE THR THR ALA ILE NH2 8.84956
102 5J62 FMN 8.84956
103 4HMX WUB 8.84956
104 4H07 IPH 9.61539
105 5N26 CPT 9.61539
106 5LX9 OLB 9.61539
107 5LWY OLB 9.61539
108 1QMG DMV 9.61539
109 2ISJ FMN 9.61539
110 1ICP FMN 9.61539
111 3WYJ H78 9.73451
112 4R57 ACO 9.73451
113 2QTZ FAD 9.73451
114 2QTZ NAP 9.73451
115 1KRH FAD 9.73451
116 4URG C2E 9.73451
117 5B0I BOG 9.73451
118 5IHE D5M 9.73451
119 5HCY 60D 10.6195
120 4KVL PLM 10.6195
121 2UXI G50 10.6195
122 3GWT 066 10.6195
123 4B4D FAD 10.6195
124 1NRL SRL 10.6195
125 1M13 HYF 10.6195
126 1ZEI CRS 11.3208
127 4F06 PHB 11.5044
128 4WQM FAD 11.5044
129 3OZV FAD 11.5044
130 3OZV ECN 11.5044
131 4G1V FAD 11.5044
132 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 11.5385
133 3MHP FAD 11.5385
134 4TWP AXI 11.5385
135 1QFY NAP 11.5385
136 1QFY FAD 11.5385
137 3JQQ A2P 11.5385
138 1SM4 FAD 11.5385
139 3JQQ FAD 11.5385
140 1MV8 NAD 11.5385
141 5GWT NAD 11.5385
142 1R6N 434 11.5385
143 3K87 FAD 11.5385
144 3HRD NIO 12.3894
145 3FJO FAD 12.3894
146 5FA6 NAP 12.3894
147 5FA6 FMN 12.3894
148 5FA6 FAD 12.3894
149 3VO1 FAD 12.3894
150 2A1L PCW 12.3894
151 1A8P FAD 12.3894
152 3QDY CBS 12.3894
153 3QDV NDG 12.3894
154 1MUU NAD 12.3894
155 3QDW NDG 12.3894
156 3CRZ FAD 12.3894
157 3QDX CBS 12.3894
158 2XTZ GSP 12.3894
159 5WL1 CUY 13.1313
160 1U8V FAD 13.2743
161 3IQE F42 13.2743
162 3IQE H4M 13.2743
163 3EWC MCF 13.2743
164 2R40 EPH 13.2743
165 2IV2 MGD 13.4615
166 5GXU FAD 13.4615
167 4GU5 FAD 13.4615
168 3B2Q ATP 13.4615
169 2X5W K2B 13.4615
170 4WRI OKA 13.4615
171 5XVG 8FX 13.4615
172 3T1A 5MA 13.4615
173 5LKT BCO 13.4615
174 6GNO XDI 13.4615
175 1J0D 5PA 14.1593
176 5H5J FAD 14.1593
177 5VW2 NAP 14.1593
178 5VW2 FDA 14.1593
179 2ZFU SAH 15.0442
180 3W54 RNB 15.0442
181 4YRY FAD 15.3846
182 4YRY NAD 15.3846
183 2RKV COA 15.3846
184 4KCF AKM 15.3846
185 5F1R 42O 16.8142
186 1FND A2P 17.3077
187 1FND FAD 17.3077
188 4LY9 1YY 17.3077
189 4LY9 S6P 17.3077
190 1F20 FAD 17.3077
191 4DQL FAD 17.3077
192 2C6Q IMP 17.3077
193 4HMT FMN 17.6991
194 4BNU 9KQ 17.6991
195 3QFS FAD 18.5841
196 5W4W 9WG 18.5841
197 1TAD GDP 18.5841
198 1TAD ALF 18.5841
199 1ICV FMN 18.5841
200 5JCA FAD 19.2308
201 5E6O TRP GLU GLU LEU 19.2308
202 2VHW NAI 19.2308
203 3WFD AXO 19.2308
204 4YWV SSN 19.2308
205 5BVE 4VG 19.469
206 1GAW FAD 21.1538
207 5LOF 70R 21.1538
208 4U9U FAD 21.1538
209 1DDG FAD 21.1538
210 5MTE BB2 21.2389
211 4DR9 BB2 21.2389
212 5AE2 FAD 22.1239
213 4CS4 AXZ 22.1239
214 4CS4 ANP 22.1239
215 1EWY FAD 23.0089
216 2BSA FAD 23.0089
217 2BSA NAP 23.0089
218 1TLL NAP 23.0089
219 1TLL FAD 23.0089
220 3WIR BGC 23.0089
221 5EO8 TFU 23.0769
222 4G6I RS3 23.0769
223 1T0S BML 23.0769
224 4XNV BUR 23.0769
225 3CXH SMA 23.8938
226 3CX5 SMA 23.8938
227 4OGQ 7PH 24.3243
228 1DMH LIO 25
229 1QX4 FAD 27.4336
230 3LN0 52B 28.8462
231 2ZRU FMN 28.8462
232 1NU4 MLA 28.866
233 4D52 GXL 30.7692
234 4D52 GIV 30.7692
235 4D4U FUC GAL NAG 30.7692
236 2D37 FMN 30.7692
237 2D37 NAD 30.7692
238 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 32.7434
239 1VP5 NAP 36.2832
240 4QMN DB8 40.3846
Pocket No.: 2; Query (leader) PDB : 1N13; Ligand: AG2; Similar sites found with APoc: 94
This union binding pocket(no: 2) in the query (biounit: 1n13.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2HPS CTZ None
2 1UHK CZN None
3 3ZJ0 ACO None
4 1YP0 PEF None
5 3BJK CIT None
6 1L6O SER LEU LYS LEU MET THR THR VAL None
7 2HFN FMN None
8 3IS2 FAD None
9 2OHV NHL None
10 5KF9 ACO None
11 1DNP FAD None
12 1BH2 GSP None
13 4OAR 2S0 None
14 5MWE TCE None
15 1TMX HGX 1.76991
16 5X8Q 82R 1.76991
17 6ESN BWE 1.76991
18 2HW2 RFP 1.76991
19 1DUB CAA 2.65487
20 3KMZ EQO 2.65487
21 3PF7 MLA 2.65487
22 5K13 6Q7 2.65487
23 6F70 GSH 3.53982
24 6AU6 GDP 3.53982
25 1XAP TTB 3.53982
26 5A4W QCT 3.84615
27 6C7R EO4 3.84615
28 1N07 ADP 5.30973
29 4XVX P33 FDA 5.30973
30 5CSD ACD 5.76923
31 4BUZ OAD 5.76923
32 4BUZ NAD 5.76923
33 5BW4 SAM 6.19469
34 4E2J MOF 7.07965
35 6AP6 TLF 7.07965
36 2P1C GG3 7.07965
37 3GN8 DEX 7.07965
38 2B96 ANN 7.69231
39 3SFI 3SF 7.9646
40 6MVU K4V 7.9646
41 6CAY ERG 7.9646
42 2DSA GSH 8.84956
43 2DSA HPX 8.84956
44 5JFL NAD 8.84956
45 1DKF BMS 8.84956
46 2ZKJ ADP 9.61539
47 4NKT 2KH 9.61539
48 3V49 PK0 9.73451
49 5B4B LP5 9.73451
50 3EYA TDP 9.73451
51 1ID0 ANP 9.73451
52 2P4Y C03 10.6195
53 5C1M OLC 10.6195
54 5G3N X28 10.6195
55 4HEE 14R 10.6195
56 1Q1R FAD 10.6195
57 1XMY ROL 10.6195
58 3G5K BB2 10.6195
59 3G9E RO7 10.6195
60 5C1M CLR 10.6195
61 5K52 OCD 10.6195
62 5EP2 AZU 11.5044
63 4O1Z MXM 11.5044
64 1NP7 FAD 11.5385
65 2BJ4 OHT 11.5385
66 5IJJ I6P 11.5385
67 5U98 1KX 13.1313
68 4YV5 SVR 13.2743
69 1G2N EPH 13.2743
70 4KBS PX2 13.2743
71 5MW4 5JU 13.4615
72 2CB3 MLD 13.4615
73 3HX3 RET 14.1593
74 4J56 FAD 15.0442
75 3QVP FAD 15.0442
76 4EOY ASN ASP TRP LEU LEU PRO SER TYR 15.0442
77 6GMN F4E 15.3846
78 4PGK Y69 15.3846
79 1LLU NAD 16.8142
80 4NAT 2W5 18.5841
81 6FS0 E4W 19.2308
82 1G27 BB1 19.469
83 3KFC 61X 21.1538
84 3KPX CZH 21.1538
85 3A7R LAQ 21.1538
86 4DJA FAD 21.2389
87 4DJA DLZ 21.2389
88 6F6E PLM 21.2389
89 5N69 2OW 21.2389
90 2BP1 NDP 22.1239
91 1EZV SMA 23.8938
92 3EBL GA4 23.8938
93 4I6G FAD 25
94 4Z87 5GP 34.6154
Pocket No.: 3; Query (leader) PDB : 1N13; Ligand: AG2; Similar sites found with APoc: 30
This union binding pocket(no: 3) in the query (biounit: 1n13.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4AVB ACO None
2 5NM7 GLY None
3 3VVY ET None
4 1K7L 544 None
5 5O2D 9HH 1.76991
6 3E7O 35F 4.42478
7 3K56 IS3 5.30973
8 4BUZ OCZ 5.76923
9 4FAJ LEU VAL THR LEU VAL PHE VAL 6.19469
10 6BA2 7KM 6.19469
11 1LQY BB2 7.07965
12 3MWS 017 8.08081
13 5O96 SAM 8.84956
14 3AY6 BGC 9.61539
15 1SO2 666 10.6195
16 5GWT SIN 11.5385
17 3RHJ NAP 11.5385
18 3TGE TGE 11.5385
19 3P9T TCL 13.2743
20 1T9M FMN 14.1593
21 4QVB F42 17.3077
22 4E1N TQX 17.3077
23 4HMT NNV 17.6991
24 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 23.8095
25 2IBZ SMA 23.8938
26 4K4D HFQ 24.7788
27 1ORR NAD 30.7692
28 1RE0 AFB 32.7434
29 2GJN NIS 34.6154
30 2GJN FMN 34.6154
Pocket No.: 4; Query (leader) PDB : 1N13; Ligand: AG2; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 1n13.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3FEI CTM None
2 3D72 FAD None
3 1M2Z DEX None
4 2A3I C0R None
5 1S17 GNR None
6 4UDB CV7 3.53982
7 5L7G 6QE 3.53982
8 4XVX P6G FDA 5.30973
9 4GFD 0YB 5.30973
10 5V03 658 5.30973
11 6CHP F0Y 7.07965
12 6EDK 1YA 7.07965
13 4JE7 BB2 8.84956
14 3AY6 NAI 9.61539
15 6HOY TSN 9.73451
16 4H8N NDP 11.5385
17 6BYM HC3 11.5385
18 4MGB XDH 11.5385
19 5EEH SAH 13.4615
20 2BNE U5P 13.4615
21 5KOR GDP 15.3846
22 1KUV CA5 16.8142
23 5WUK 73K 17.3077
24 3QFS NAP 18.5841
25 2A06 SMA 19.2308
26 2O1V ADP 20.354
27 4E5N NAD 21.2389
28 3QFA FAD 23.0769
29 5K53 STE 25
30 5K0A FAD 30.7692
31 4AF0 IMP 40.3846
Pocket No.: 5; Query (leader) PDB : 1N13; Ligand: AG2; Similar sites found with APoc: 29
This union binding pocket(no: 5) in the query (biounit: 1n13.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6GR0 F8W None
2 4JWH SAH 3.53982
3 2NLI LAC 5.76923
4 2NLI FMN 5.76923
5 5UI2 EQ3 7.07965
6 4HMX FMN 8.84956
7 4WN5 MVC 8.84956
8 2VNI FAD 9.61539
9 2VNI A2P 9.61539
10 1RDT 570 10.6195
11 1FM9 570 10.6195
12 2ZFN ACO 10.6195
13 2G30 ALA ALA PHE 11.5044
14 4CZG QH3 11.5385
15 3CRZ NAP 12.3894
16 3HRD FAD 12.3894
17 2Q3R FMN 13.4615
18 4PFC 2QX 13.4615
19 4YNU LGC 15.9292
20 6H3O FAD 17.3077
21 3TE4 ACO 17.3077
22 4DQL NAP 17.3077
23 4KBA 1QM 18.5841
24 1KQB BEZ 18.5841
25 6AM8 PLT 19.2308
26 1KBI FMN 23.0769
27 1KBI PYR 23.0769
28 3GDN HBX 25
29 5BRE 4UZ 26.9231
Pocket No.: 6; Query (leader) PDB : 1N13; Ligand: AG2; Similar sites found with APoc: 13
This union binding pocket(no: 6) in the query (biounit: 1n13.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3BXF 13P 2.65487
2 3CZ7 ACO 4.42478
3 2AX9 BHM 9.73451
4 3IPQ 965 9.73451
5 3I7V B4P 11.5044
6 4EWH T77 11.5385
7 1KPH SAH 13.2743
8 3R96 ACO 13.4615
9 3R96 AMP 13.4615
10 1XVB BHL 13.4615
11 2RC5 FAD 23.0089
12 5WO4 B7V 28.8462
13 4YSX FAD 34.6154
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