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Receptor
PDB id Resolution Class Description Source Keywords
2QQC 2 Å EC: 4.1.1.19 E109Q MUTANT OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASHII METHANOCALDOCOCCUS JANNASCHII ARGININE DECARBOXYLASE PYRUVOYL DECARBOXYLATION AUTOPROCESSING SERINOLYSIS LYASE PYRUVATE
Ref.: STRUCTURES OF THE N47A AND E109Q MUTANT PROTEINS OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII. ACTA CRYSTALLOGR.,SECT.D V. 64 377 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AG2 A:671;
A:672;
E:671;
I:671;
I:672;
K:671;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
130.191 C5 H14 N4 C(CCN...
MPD B:700;
C:700;
E:700;
I:700;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
PYR B:53;
D:53;
F:53;
H:53;
J:53;
L:53;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QQC 2 Å EC: 4.1.1.19 E109Q MUTANT OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASHII METHANOCALDOCOCCUS JANNASCHII ARGININE DECARBOXYLASE PYRUVOYL DECARBOXYLATION AUTOPROCESSING SERINOLYSIS LYASE PYRUVATE
Ref.: STRUCTURES OF THE N47A AND E109Q MUTANT PROTEINS OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII. ACTA CRYSTALLOGR.,SECT.D V. 64 377 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2QQC - 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 2QQC - 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 2QQC - 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 : 2QQC; Ligand: AG2; Similar sites found with APoc: 236
This union binding pocket(no: 1) in the query (biounit: 2qqc.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3D78 NBB None
2 3RV5 DXC None
3 1S4M LUM None
4 1UO5 PIH None
5 4ZVV NAD None
6 4ZVV GN0 None
7 4AVB ACO None
8 2Y9G LAT None
9 2Y9G LBT None
10 3X1M COA None
11 4O4Z N2O None
12 4MNS 2AX None
13 1UO4 PIH None
14 3KA2 2NC None
15 3QLM PLM None
16 3WR7 COA None
17 2HPS CTZ None
18 3ZJ0 ACO None
19 4WG0 CHD None
20 6GR0 F8W None
21 1SR7 MOF None
22 1QK3 5GP None
23 3ZLR X0B None
24 1BH2 GSP None
25 3KP6 SAL None
26 2XTZ GSP None
27 3VVY ET None
28 5HCV 60R None
29 2EIX FAD None
30 5KF9 ACO None
31 1Y3A GDP None
32 1DNP FAD None
33 1PVN MZP 1.06383
34 2D5X L35 1.78571
35 4UA3 COA 1.78571
36 5O2D 9HH 1.78571
37 5NTW 98N 1.78571
38 1TMX HGX 1.78571
39 1MID LAP 2.1978
40 5YIC 8VO 2.67857
41 4MRP GSH 2.67857
42 1RZM E4P 2.67857
43 4ITH RCM 2.67857
44 3KMZ EQO 2.67857
45 3KMR EQN 2.67857
46 6BMS PLM 2.67857
47 2HPL ASP ASP LEU TYR GLY 3
48 6AU6 GDP 3.57143
49 2PIA FMN 3.57143
50 6F70 GSH 3.57143
51 1W4R TTP 3.57143
52 5MWY YNU 3.57143
53 2GWH PCI 3.77358
54 1GZF NAD 3.77358
55 5HVA DUP 4.28571
56 4ZFL 4NK 4.46429
57 3G2Y GF4 4.46429
58 1KBJ FMN 4.46429
59 5LXI GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 4.46429
60 1NHZ 486 4.46429
61 3RET PYR 4.9505
62 3RET SAL 4.9505
63 4XVX P33 FDA 5.35714
64 1N07 FMN 5.35714
65 2RHW C0E 5.35714
66 3K56 IS3 5.35714
67 2WH8 II2 5.35714
68 1FQK GDP 5.35714
69 1XZ3 ICF 5.66038
70 1YKD CMP 5.66038
71 4WGF HX2 5.66038
72 4BUZ OAD 5.66038
73 4BUZ OCZ 5.66038
74 2Q8G AZX 5.66038
75 3KV8 FAH 5.66038
76 1QNF FAD 5.66038
77 4FAJ LEU VAL THR LEU VAL PHE VAL 6.25
78 4RC8 STE 6.25
79 4CDN FAD 6.25
80 5X3R 7Y3 6.25
81 4HBM 0Y7 6.25
82 5UFS 1TA 7.14286
83 4F07 FAD 7.54717
84 3WHB DCC 7.54717
85 4XV1 904 7.54717
86 2XNJ NAP 8.03571
87 2XNJ FAD 8.03571
88 3O01 DXC 8.03571
89 4U9W COA 8.03571
90 4KOT CE3 8.03571
91 5O0X FAD 8.03571
92 4G86 BNT 8.92857
93 3GKJ HC3 8.92857
94 4PYW ACE THR THR ALA ILE NH2 8.92857
95 5J62 FMN 8.92857
96 2DTX BMA 8.92857
97 6DVH FMN 8.92857
98 1DKF BMS 8.92857
99 4WN5 MVC 8.92857
100 5O96 SAM 8.92857
101 5LWY OLB 9.43396
102 3AY6 BGC 9.43396
103 3AY6 NAI 9.43396
104 4R57 ACO 9.43396
105 5N26 CPT 9.43396
106 5LX9 OLB 9.43396
107 5JFL NAD 9.43396
108 2ZKJ ADP 9.43396
109 4I3V NAD 9.43396
110 2QTZ FAD 9.82143
111 5IHE D5M 9.82143
112 5B4B LP5 9.82143
113 2D3Y DU 9.82143
114 5B0I BOG 9.82143
115 1MUU NAD 9.82143
116 5C1M OLC 10.7143
117 4WQM FAD 10.7143
118 1RDT 570 10.7143
119 1FM9 570 10.7143
120 1KRH FAD 10.7143
121 2P4Y C03 10.7143
122 2ZFN ACO 10.7143
123 4KVL PLM 10.7143
124 3GWT 066 10.7143
125 5G3N X28 10.7143
126 2UXI G50 10.7143
127 3LF0 ATP 10.7143
128 1M13 HYF 10.7143
129 4KBS PX2 10.7143
130 1NRL SRL 10.7143
131 3MHP FAD 11.3208
132 4TWP AXI 11.3208
133 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 11.3208
134 4H07 IPH 11.3208
135 1SM4 FAD 11.3208
136 1QFY FAD 11.3208
137 1QFY NAP 11.3208
138 3JQQ FAD 11.3208
139 4TMC FMN 11.3208
140 1MV8 NAD 11.3208
141 3JQQ A2P 11.3208
142 4CZG QH3 11.3208
143 3RHJ NAP 11.3208
144 4EWH T77 11.3208
145 5IJJ I6P 11.3208
146 4YAG NAI 11.3208
147 2BJ4 OHT 11.3208
148 2CIX CEJ 11.3208
149 1CS4 GSP 11.3208
150 3RMK BML 11.6071
151 4F06 PHB 11.6071
152 5EP2 AZU 11.6071
153 3VO1 FAD 12.5
154 5FA6 FAD 12.5
155 5FA6 FMN 12.5
156 5FA6 NAP 12.5
157 3FJO FAD 12.5
158 3CRZ NAP 12.5
159 3CRZ FAD 12.5
160 3QDW NDG 12.5
161 3QDX CBS 12.5
162 3HRD NIO 12.5
163 1A8P FAD 12.5
164 3QDV NDG 12.5
165 2IV2 MGD 13.2075
166 3B2Q ATP 13.2075
167 5LKT BCO 13.2075
168 4PFC 2QX 13.2075
169 5TA6 79D 13.2075
170 1QMG DMV 13.2075
171 3IQE F42 13.3929
172 1U8V FAD 13.3929
173 3IQE H4M 13.3929
174 1G2N EPH 13.3929
175 5H5J FAD 14.2857
176 4YRY NAD 15.0943
177 4YRY FAD 15.0943
178 6GMN F4E 15.0943
179 4YNU LGC 16.0714
180 4YNU FAD 16.0714
181 5F1R 42O 16.9643
182 1KUV CA5 16.9643
183 1FND A2P 16.9811
184 1FND FAD 16.9811
185 6H3O FAD 16.9811
186 1F20 FAD 16.9811
187 4BNU 9KQ 17.8571
188 4NAT 2W5 17.8571
189 1YKI NFZ 17.8571
190 3QFS FAD 18.75
191 1TAD GDP 18.75
192 1TAD ALF 18.75
193 5W4W 9WG 18.75
194 4KBA 1QM 18.75
195 4E1N TQX 18.8679
196 2VHW NAI 18.8679
197 6FS0 E4W 18.8679
198 2WOX NDP 18.8679
199 3WFD AXO 18.8679
200 3JZ4 NAP 18.8679
201 4YWV SSN 18.8679
202 3TO7 COA 19.6429
203 2O1V ADP 20.5357
204 1GAW FAD 20.7547
205 5LOF 70R 20.7547
206 2GOU FMN 20.7547
207 4U9U FAD 20.7547
208 1DDG FAD 20.7547
209 3KFC 61X 20.7547
210 6F6E PLM 21.4286
211 5MTE BB2 21.4286
212 5AE2 FAD 22.3214
213 5EO8 TFU 22.6415
214 1KBI FMN 22.6415
215 1KBI PYR 22.6415
216 4G6I RS3 22.6415
217 1T0S BML 22.6415
218 1TLL NAP 23.2143
219 1TLL FAD 23.2143
220 1EWY FAD 23.2143
221 3WIR BGC 23.2143
222 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 23.8095
223 1EZV SMA 24.1071
224 2IBZ SMA 24.1071
225 4OGQ 7PH 24.3243
226 4K4D HFQ 25
227 1J0D 5PA 26.4151
228 5BRE 4UZ 26.4151
229 1T3Q FAD 28.3019
230 3LN0 52B 28.3019
231 4CS4 ANP 28.5714
232 4CS4 AXZ 28.5714
233 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 33.0357
234 1RE0 AFB 33.0357
235 4Z87 5GP 33.9623
236 1VP5 NAP 37.5
Pocket No.: 2; Query (leader) PDB : 2QQC; Ligand: AG2; Similar sites found with APoc: 87
This union binding pocket(no: 2) in the query (biounit: 2qqc.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 1LQY BB2 None
3 6B5Q PPI CZS 2KY MLY 1XY None
4 3BJK CIT None
5 1FK5 OLA None
6 2HFN FMN None
7 5NM7 GLY None
8 2HJ3 FAD None
9 1UHK CZN None
10 2A3I C0R None
11 1L6O SER LEU LYS LEU MET THR THR VAL None
12 4P6W MOF None
13 2OHV NHL None
14 1S17 GNR None
15 1YP0 PEF None
16 1M2Z DEX None
17 2J1P GRG 1.78571
18 5NI5 8YB 1.78571
19 3WCA FPS 2.67857
20 5K13 6Q7 2.67857
21 5LGA 6VH 3.57143
22 5A4W QCT 3.77358
23 6C7R EO4 3.77358
24 2OKL BB2 5.35714
25 1Q7E MET 5.35714
26 1N07 ADP 5.35714
27 1UVC STE 5.49451
28 5CSD ACD 5.66038
29 4BUZ NAD 5.66038
30 3O3R NAP 6.25
31 4E2J MOF 7.14286
32 3GN8 DEX 7.14286
33 2JJK R15 7.54717
34 2B96 ANN 7.54717
35 1HG4 LPP 7.54717
36 6MVU K4V 8.03571
37 6CAY ERG 8.03571
38 2DSA GSH 8.92857
39 2DSA HPX 8.92857
40 4JE7 BB2 8.92857
41 1TKE SER 9.43396
42 5GWT NAD 9.43396
43 5GWT SIN 9.43396
44 3QVP FAD 9.43396
45 2O4J VD4 9.43396
46 2ISJ FMN 9.43396
47 3I3X U22 9.43396
48 2QTZ NAP 9.82143
49 3EYA TDP 9.82143
50 4XOQ F42 9.82143
51 2VVT I24 10.7143
52 1WOR RED 10.7143
53 4HEE 14R 10.7143
54 3G5K BB2 10.7143
55 1XMY ROL 10.7143
56 5C1M CLR 10.7143
57 5OHJ 9VE 10.7143
58 2HFP NSI 10.7143
59 4MGB XDH 11.3208
60 5XPL 8C9 11.3208
61 5DX3 EST 11.3208
62 4LZJ 22H 11.6071
63 1R6N 434 11.6071
64 2A1L PCW 12.5
65 4AVV CD 12.5
66 4OHU 2TK 13.2075
67 4OHU NAD 13.2075
68 4WRI OKA 13.2075
69 4GU5 FAD 13.2075
70 5EEH SAH 13.2075
71 3P9T TCL 13.3929
72 3EWC MCF 13.3929
73 4KCF AKM 15.0943
74 4URX FK1 15.1786
75 1LLU NAD 16.9643
76 2C6Q NDP 16.9811
77 3E3U NVC 16.9811
78 2C6Q IMP 16.9811
79 1GNI OLA 17.8571
80 1G27 BB1 19.6429
81 4DR9 BB2 21.4286
82 5N69 2OW 21.4286
83 3CXH SMA 24.1071
84 3CX5 SMA 24.1071
85 4OGQ UMQ 24.3243
86 5K53 STE 24.5283
87 1NU4 MLA 28.866
Pocket No.: 3; Query (leader) PDB : 2QQC; Ligand: AG2; Similar sites found with APoc: 48
This union binding pocket(no: 3) in the query (biounit: 2qqc.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5OGX FAD None
2 5GK9 ACO 3.57143
3 4JWH SAH 3.57143
4 4XVX P6G FDA 5.35714
5 2GJ3 FAD 5.35714
6 1FQJ GDP 5.35714
7 1VGV UD1 5.66038
8 2EQA AMP 6.25
9 3BNK FMN 7.14286
10 2HSA FMN 7.14286
11 5J6A P46 7.54717
12 5LLT DND 8.03571
13 4G1V FAD 8.03571
14 3WYJ H78 8.92857
15 1ICP FMN 9.43396
16 4URG C2E 9.82143
17 1OYB HBA 10.7143
18 1OYB FMN 10.7143
19 4J56 FAD 13.2075
20 5GXU FAD 13.2075
21 5XGX DAS DLY 13.2075
22 1ZEI CRS 13.2075
23 5XVG 8FX 13.3929
24 5VW2 FDA 14.2857
25 5VW2 NAP 14.2857
26 2ZFU SAH 15.1786
27 3W54 RNB 15.1786
28 4EOY ASN ASP TRP LEU LEU PRO SER TYR 15.1786
29 3OZV FAD 16.0714
30 4LY9 1YY 16.9811
31 4LY9 S6P 16.9811
32 5L13 6ZE 16.9811
33 4QVB F42 16.9811
34 1KQB BEZ 17.8571
35 1KQB FMN 17.8571
36 1QSR ACO 17.8571
37 4HMT FMN 18.75
38 5E6O TRP GLU GLU LEU 18.8679
39 4E5N NAD 21.4286
40 5AE2 FYC 22.3214
41 4XNV BUR 22.6415
42 1DMH LIO 24.5283
43 4N82 FMN 26.7857
44 4D52 GIV 30.1887
45 4D52 GXL 30.1887
46 1ORR NAD 30.1887
47 4D4U FUC GAL NAG 30.1887
48 4QMN DB8 39.6226
Pocket No.: 4; Query (leader) PDB : 2QQC; Ligand: AG2; Similar sites found with APoc: 24
This union binding pocket(no: 4) in the query (biounit: 2qqc.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3FSM 2NC None
2 2ODE ALF GDP None
3 2NLI LAC 5.66038
4 5UI2 EQ3 7.14286
5 4HMX WUB 8.92857
6 5HSA FAS 8.92857
7 4HMX FMN 8.92857
8 3AIA SAM 9.82143
9 4B4D FAD 10.7143
10 4IZY 1J2 11.3208
11 1V7C HEY 11.6071
12 3QDY CBS 12.5
13 5BVE 4VG 13.2075
14 2Q3R FMN 13.2075
15 6GNO XDI 13.2075
16 4M5P FMN 14.2857
17 1SOX MTE 15.1786
18 1YKI FMN 17.8571
19 4HMT NNV 18.75
20 1FFU FAD 18.8679
21 1G2O IMH 23.2143
22 3GDN HBX 30.1887
23 2GJN FMN 33.9623
24 3BXF 13P 41.5094
Pocket No.: 5; Query (leader) PDB : 2QQC; Ligand: AG2; Similar sites found with APoc: 46
This union binding pocket(no: 5) in the query (biounit: 2qqc.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4QAC KK3 None
2 2IYG FMN None
3 3FEI CTM None
4 1YRX FMN None
5 2HW2 RFP 1.78571
6 3VBK 0FX 2.67857
7 3VBK COA 2.67857
8 2YI0 YI0 2.67857
9 5E95 GDP 3.57143
10 4JWF SAH 3.57143
11 3GFZ FMN 4.46429
12 4WZV E40 5.66038
13 3I7V B4P 5.66038
14 5AZC PGT 6.25
15 6BA2 7KM 6.25
16 1ZVX FIN 6.25
17 2Z3U CRR 6.25
18 1WY7 SAH 7.54717
19 4C2X NHW 8.03571
20 3G4G D71 9.82143
21 3LOO B4P 9.82143
22 1IYK MYA 10.7143
23 5MBC FMN 11.3208
24 2II3 CAO 11.3208
25 3K87 FAD 11.3208
26 1NNU NAD 11.6071
27 2YNC YNC 11.6071
28 4XSU UDP 13.2075
29 4XSU GLC 13.2075
30 5WS9 AMP 15.0943
31 5YEC ATP 16.0714
32 4DQL FAD 16.9811
33 4RGQ NDP 16.9811
34 4FC7 COA 17.8571
35 4FC7 NAP 17.8571
36 5JCA FAD 18.8679
37 5EXE 5SR 20.7547
38 4WAS COO 20.7547
39 1ZPD DPX 22.3214
40 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 22.6415
41 2BSA NAP 23.2143
42 2BSA FAD 23.2143
43 2C42 TPP 26.4151
44 2C42 PYR 26.4151
45 6EMU SAM 26.4151
46 6F3M NAD 43.3962
Pocket No.: 6; Query (leader) PDB : 2QQC; Ligand: AG2; Similar sites found with APoc: 29
This union binding pocket(no: 6) in the query (biounit: 2qqc.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3KDU NKS None
2 3D72 FAD None
3 3IS2 FAD None
4 1K7L 544 None
5 4OAR 2S0 None
6 3HX3 RET 1.78571
7 1DUB CAA 2.67857
8 5L7G 6QE 3.57143
9 4UDB CV7 3.67647
10 1ZOA 140 5.35714
11 5V03 658 5.35714
12 4CNK FAD 5.66038
13 3B1J NAD 5.66038
14 5BW4 SAM 6.25
15 2XXP DSL 7.14286
16 6HOY TSN 9.82143
17 3V49 PK0 9.82143
18 3G9E RO7 10.7143
19 5U98 1KX 13.1313
20 5MW4 5JU 13.2075
21 3ND6 ATP 13.2075
22 2CB3 MLD 13.2075
23 2R40 EPH 13.3929
24 3AQT RCO 13.3929
25 4PGK Y69 15.0943
26 2P8B NSK 16.9643
27 1HK8 DGT 16.9811
28 3KPX CZH 20.7547
29 4I6G FAD 24.5283
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