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Receptor
PDB id Resolution Class Description Source Keywords
1MT1 2.2 Å EC: 4.1.1.19 THE CRYSTAL STRUCTURE OF PYRUVOYL-DEPENDENT ARGININE DECARBO FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII PYRUVOYL GROUP PYRUVATE AGMATINE ARGININE LYASE
Ref.: PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METH JANNASCHII: CRYSTAL STRUCTURES OF THE SELF-CLEAVED PROENZYME FORMS STRUCTURE V. 11 285 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AG2 A:7005;
B:7001;
C:7004;
G:7003;
K:7002;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
130.191 C5 H14 N4 C(CCN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MT1 2.2 Å EC: 4.1.1.19 THE CRYSTAL STRUCTURE OF PYRUVOYL-DEPENDENT ARGININE DECARBO FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII PYRUVOYL GROUP PYRUVATE AGMATINE ARGININE LYASE
Ref.: PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METH JANNASCHII: CRYSTAL STRUCTURES OF THE SELF-CLEAVED 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 1MT1 - 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 1MT1 - 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 1MT1 - 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 : 1MT1; Ligand: AG2; Similar sites found with APoc: 203
This union binding pocket(no: 1) in the query (biounit: 1mt1.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1SR7 MOF None
2 3X1M COA None
3 2HPS CTZ None
4 1UO5 PIH None
5 3QLM PLM None
6 6GL8 F3Q None
7 1LQY BB2 None
8 3RV5 DXC None
9 2HJ3 FAD None
10 1UO4 PIH None
11 2OHV NHL None
12 3D72 FAD None
13 5MT9 SRO None
14 1FK5 OLA None
15 4O4Z N2O None
16 4P6W MOF None
17 3WCA FPS None
18 1M2Z DEX None
19 1YP0 PEF None
20 5HCV 60R None
21 2HFN FMN None
22 5MWE TCE None
23 4W4S B29 None
24 5K53 STE None
25 3D78 NBB None
26 1DNP FAD None
27 4NAT 2W5 None
28 1UBY DMA None
29 3IS2 FAD None
30 4LSJ LSJ None
31 4WG0 CHD None
32 1L6O SER LEU LYS LEU MET THR THR VAL None
33 3RY9 1CA None
34 3ZS7 ATP None
35 3G4G D71 None
36 4P6X HCY None
37 1FCZ 156 None
38 3KP6 SAL None
39 6BMS PLM 1.76991
40 3HX3 RET 1.76991
41 1XMY ROL 1.76991
42 3GWT 066 1.76991
43 4DR9 BB2 1.76991
44 2HW2 RFP 1.76991
45 5OHJ 9VE 1.76991
46 1XM4 PIL 1.76991
47 5NI5 8YB 1.76991
48 2D5X L35 1.76991
49 1XMU ROF 1.76991
50 1MID LAP 2.1978
51 1DUB CAA 2.65487
52 2QE0 NAP 2.65487
53 4MRP GSH 2.65487
54 4MRV HGD 2.65487
55 5K13 6Q7 2.65487
56 3KMZ EQO 2.65487
57 2UXI G50 2.65487
58 4XVX P33 FDA 3.53982
59 3IQE F42 3.53982
60 1T27 PCW 3.53982
61 3IQE H4M 3.53982
62 5LGA 6VH 3.53982
63 3V66 D3A 3.53982
64 6F70 GSH 3.53982
65 5L7G 6QE 3.53982
66 2VVT I24 3.53982
67 5MWY YNU 3.53982
68 4UDB CV7 3.53982
69 1N8V BDD 3.57143
70 5A4W QCT 3.84615
71 2GWH PCI 3.84615
72 5HVA DUP 4.28571
73 5X3R 7Y3 4.42478
74 4G86 BNT 4.42478
75 3ROE THM 4.42478
76 5OLK DTP 4.42478
77 2OKL BB2 5.30973
78 2WH8 II2 5.30973
79 1Q7E MET 5.30973
80 2GJ3 FAD 5.30973
81 4HBM 0Y7 5.30973
82 2C3Q GTX 5.30973
83 5V03 658 5.30973
84 1GHE ACO 5.30973
85 1UVC STE 5.49451
86 2Q8G AZX 5.76923
87 5B0I BOG 5.76923
88 1XZ3 ICF 5.76923
89 1QNF FAD 5.76923
90 5CSD ACD 5.76923
91 4WGF HX2 5.76923
92 1FP2 HMO 5.76923
93 3RET PYR 5.94059
94 4RC8 STE 6.19469
95 4CDN FAD 6.19469
96 3OTX AP5 6.19469
97 3WH1 NAG NAG NAG NAG 6.19469
98 3GXO MQA 6.19469
99 3RMK BML 7.07965
100 4E2J MOF 7.07965
101 2P1C GG3 7.07965
102 2XXP DSL 7.07965
103 3GN8 DEX 7.07965
104 5UFS 1TA 7.07965
105 6CAY ERG 7.07965
106 3WHB DCC 7.69231
107 2B96 ANN 7.69231
108 4O1Z MXM 7.69231
109 5UC1 486 7.69231
110 3O01 DXC 7.9646
111 4JE7 BB2 7.9646
112 5DEY 59T 7.9646
113 6MVU K4V 7.9646
114 5YJI SAH 7.9646
115 5YJI 8WO 7.9646
116 5UWA 8ND 7.9646
117 3G5K BB2 7.9646
118 1OFU GDP 7.9646
119 3GKJ HC3 8.84956
120 2DSA GSH 8.84956
121 2DSA HPX 8.84956
122 5J62 FMN 8.84956
123 6G5J EM8 8.84956
124 5OWC AYZ 8.84956
125 4H07 IPH 9.61539
126 4XU6 TDA 9.61539
127 2O4J VD4 9.61539
128 4NKT 2KH 9.61539
129 2ISJ FMN 9.61539
130 5LWY OLB 9.61539
131 5LX9 OLB 9.61539
132 2ZKJ ADP 9.61539
133 2P4Y C03 9.73451
134 2AX9 BHM 9.73451
135 4KVL PLM 9.73451
136 5C1M OLC 9.73451
137 5C1M CLR 9.73451
138 3V49 PK0 9.73451
139 5IHE D5M 9.73451
140 1G27 BB1 9.73451
141 4XOQ F42 9.73451
142 4HEE 14R 9.73451
143 3H0A D30 9.73451
144 1WOR RED 9.73451
145 2BTO GTP 9.73451
146 1NRL SRL 10.6195
147 1M13 HYF 10.6195
148 1MUU NAD 10.6195
149 1GNI OLA 10.6195
150 5G3N X28 10.6195
151 3GST GPR 10.6195
152 5IJJ I6P 11.5385
153 2O1V ADP 11.5385
154 3MHP FAD 11.5385
155 1G2N EPH 12.3894
156 2R40 EPH 12.3894
157 2A1L PCW 12.3894
158 1MV8 NAD 12.3894
159 5N7O 69Y 12.3894
160 1U8V FAD 12.3894
161 2C0U FAD NBT 13.2743
162 1P1M MET 13.2743
163 4GU5 FAD 13.4615
164 1LN1 DLP 13.4615
165 5JAQ NAI 13.4615
166 2CB3 MLD 13.4615
167 5EP2 AZU 14.1593
168 2J7T 274 14.1593
169 1TMX HGX 15.0442
170 4V24 GYR 15.3846
171 6CB2 OLC 15.9292
172 4BNU 9KQ 16.8142
173 1LVK MNT BEF 17.3077
174 1HK8 DGT 17.3077
175 2HU5 GLY PHE 17.3077
176 5MTE BB2 17.6991
177 1NU4 MLA 18.5567
178 6FS0 E4W 19.2308
179 2A06 SMA 19.2308
180 6F6E PLM 19.469
181 3EWC MCF 20.354
182 5N69 2OW 20.354
183 4PA0 2OW 20.354
184 5LOF 70R 21.1538
185 3KFC 61X 21.1538
186 3RDE OYP 21.1538
187 3CXH SMA 23.0769
188 3CX5 SMA 23.0769
189 2IBZ SMA 23.0769
190 1EZV SMA 23.0769
191 1T0S BML 23.0769
192 4EOX 0S5 23.0769
193 3EBL GA4 23.8938
194 4OGQ 7PH 24.3243
195 4I6G FAD 25
196 5IM3 DTP 25
197 3LN0 52B 28.8462
198 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 30.0885
199 4OIV XX9 30.7692
200 5K0A FAD 30.7692
201 4I4Z 2NE 32.6923
202 3KH5 AMP 34.6154
203 3KH5 ADP 34.6154
Pocket No.: 2; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found with APoc: 47
This union binding pocket(no: 2) in the query (biounit: 1mt1.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6B5Q PPI CZS 2KY MLY 1XY None
2 3KDU NKS None
3 2YLD CMO None
4 1ZDT PEF None
5 3HLX PQQ None
6 2J1P GRG 1.76991
7 6ESN BWE 1.76991
8 5TVI MYR 4.34783
9 5JFL NAD 4.42478
10 1N1G BCP 5.30973
11 5G57 6M5 6.19469
12 5B4B LP5 6.19469
13 1IG3 VIB 7.07965
14 3HYW DCQ 7.07965
15 2YOO K2B 7.07965
16 4KOT CE3 7.9646
17 4J7Q B7N 8.84956
18 1DKF BMS 8.84956
19 1RDT 570 9.73451
20 1FM9 570 9.73451
21 3FUR Z12 9.73451
22 3JUQ AJD 9.73451
23 3JUQ AKD 9.73451
24 2HFP NSI 9.73451
25 4F06 PHB 11.5385
26 2CIX CEJ 11.5385
27 2E3N 6CM 11.5385
28 3AQT RCO 12.3894
29 2X5W K2B 13.4615
30 1FP1 HCC 13.4615
31 4B1V LAB 15.3846
32 4ORM 2V6 17.3077
33 4ORM FMN 17.3077
34 4ORM ORO 17.3077
35 5WUK 73K 17.3077
36 1BWO LPC 17.3077
37 4O4K 2PK 17.3077
38 6C7D EOJ 18.5841
39 2GTE VA 19.2308
40 4DK7 0KS 21.1538
41 5MLR GRQ 23.0769
42 5MLR NAP 23.0769
43 3GDN FAD 25
44 1N4H REA 25
45 4DOL PLM 28.8462
46 3OKI OKI 30.7692
47 4Y9J FAD 32.6923
Pocket No.: 3; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found with APoc: 84
This union binding pocket(no: 3) in the query (biounit: 1mt1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3FEI CTM None
2 5Z3I ADE None
3 4MNS 2AX None
4 3OJO NAD None
5 2NPA MMB None
6 5MT9 ARG None
7 1S17 GNR None
8 3E7O 35F None
9 5FH7 5XL None
10 3BKR PLM None
11 2QZT PLM None
12 6BC0 GSP None
13 5NM7 GLY None
14 3EWR APR None
15 1RV1 IMZ None
16 6AYI C3G 3.53982
17 1JQ9 PHE LEU SER TYR LYS 3.53982
18 3GGF GVD 3.84615
19 6BCA GSP 4.42478
20 5WXU FLC 4.42478
21 1PN4 HDC 4.42478
22 5Z1N PEF 5.30973
23 1ZED PNP 5.76923
24 2VOS ADP 5.76923
25 3O3R NAP 6.19469
26 5K52 OCD 6.19469
27 4WW7 AMP 6.19469
28 5V13 JH3 6.19469
29 5J6A P46 7.69231
30 5W8X UDP 8.84956
31 3N1S 5GP 9.2437
32 4KBS PX2 9.61539
33 3G9E RO7 9.73451
34 5TWO 7MV 9.73451
35 5AZC PGT 9.73451
36 3DCJ THH 9.73451
37 5HCY 60D 10.6195
38 5FIT AP2 10.6195
39 3EE4 MYR 11.5044
40 2V5E SCR 11.5044
41 1SM4 FAD 11.5385
42 6C8R SAH 11.5385
43 1R6N 434 11.5385
44 5CYV WCA 11.5385
45 6BCB GSP 12.3894
46 2IO8 ADP 12.3894
47 1XVB BHL 13.4615
48 5L92 C0R 13.4615
49 5UY8 AMZ 13.4615
50 2B3D FAD 13.4615
51 3TKY N7I 13.4615
52 5EEH SAH 13.4615
53 5L92 MLA 13.4615
54 4XOI GTP 14.1593
55 6AYH C3G 15.0442
56 3IO3 ADP 15.3846
57 2Q4W FAD 15.3846
58 5DBV COA 15.3846
59 2VBU CDP 15.3846
60 4U0S ADP 15.3846
61 5Y72 DST 15.3846
62 2F5T MAL 15.3846
63 4KCF AKM 15.3846
64 3WUR O4B 16.8142
65 1MDC PLM 17.3077
66 5JE8 NAD 17.3077
67 6C4N NAP 17.3077
68 3E3U NVC 17.3077
69 2GZM DGL 17.6991
70 2VHW NAI 19.2308
71 5Z84 PGV 19.2308
72 5ZCO PGV 19.2308
73 5Z84 TGL 19.2308
74 2DYR PGV 19.2308
75 2DYR TGL 19.2308
76 2DYS TGL 19.2308
77 5ZCO TGL 19.2308
78 2DYS PGV 19.2308
79 3A51 VDY 23.0769
80 4G6I RS3 23.0769
81 4G4S LDZ 25
82 2FJU GSP 28.8462
83 2WOJ ADP ALF 44.2308
84 3ZS9 ADP ALF 44.2308
Pocket No.: 4; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 1mt1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y9G LAT None
2 2Y9G LBT None
3 3SP6 IL2 None
4 6C8X BVR None
5 3KA2 2NC None
6 2FXD DR7 None
7 5F1R 42O 2.65487
8 5N26 CPT 2.65487
9 3E2M E2M 3.84615
10 4DSG FAD 5.30973
11 4DSG UDP 5.30973
12 1ZUA TOL 6.19469
13 1ZUA NAP 6.19469
14 1VGV UD1 6.19469
15 5YU3 NAD 7.07965
16 5YU3 PRO 7.07965
17 4IJR NDP 7.07965
18 1QSM ACO 7.9646
19 1EWY FAD 9.61539
20 1QFY NAP 11.5385
21 1QFY FAD 11.5385
22 3VO1 FAD 11.5385
23 2RH1 CAU 13.4615
24 5WIU AQD 15.3846
25 6GMN F4E 15.3846
26 1FND FAD 17.3077
27 1FND A2P 17.3077
28 1GAW FAD 21.1538
29 9LDB NAD 32.6923
30 9LDT NAD 32.6923
31 3NC9 TR3 34.6154
Pocket No.: 5; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found with APoc: 45
This union binding pocket(no: 5) in the query (biounit: 1mt1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1K7L 544 None
2 3T50 FMN None
3 4NAT ADP None
4 3SE5 ANP None
5 5IXK 6EW 1.76991
6 5NTW 98N 1.76991
7 3KMR EQN 2.65487
8 3PF7 MLA 2.65487
9 3ET1 ET1 2.65487
10 4DM8 REA 3.53982
11 1XAP TTB 3.53982
12 1SVK ALF GDP 3.84615
13 6C7R EO4 3.84615
14 4R38 RBF 4.42478
15 2BVL GLC 5.76923
16 2BVL UDP 5.76923
17 4S15 4D8 6.19469
18 5A8E XTK 6.19469
19 1B8U OAA 7.07965
20 2OBD PCW 7.69231
21 2JJK R15 7.69231
22 3SFI 3SF 7.9646
23 4N6H EJ4 8.84956
24 1EKO I84 9.61539
25 1EKO NAP 9.61539
26 4DP3 NDP 9.61539
27 2Q8M AMP 9.61539
28 3T03 3T0 9.73451
29 3PVT 3HC 9.73451
30 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 11.5385
31 1NP7 FAD 11.5385
32 6BYM HC3 11.5385
33 4YC9 4C1 12.3894
34 3RUG DB6 13.4615
35 5J7X FAD 13.4615
36 4RW3 PLM 15.3846
37 4GCZ FMN 17.3077
38 1ZUW DGL 17.3077
39 6MPT C30 21.2389
40 5CXI 5TW 23.0769
41 4WUJ FMN 23.0769
42 5DJU FMN 25
43 4B7X NAP 27.4336
44 1OFD AKG 34.6154
45 1OFD FMN 34.6154
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