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Receptor
PDB id Resolution Class Description Source Keywords
2HJ3 2.5 Å EC: 1.-.-.- STRUCTURE OF THE ARABIDOPSIS THALIANA ERV1 THIOL OXIDASE ARABIDOPSIS THALIANA FOUR-HELIX BUNDLE FLAVIN ADENINE DINUCLEOTIDE OXIDOREDUCTASE
Ref.: GAIN OF FUNCTION IN AN ERV/ALR SULFHYDRYL OXIDASE BY MOLECULAR ENGINEERING OF THE SHUTTLE DISULFIDE. J.MOL.BIOL. V. 362 89 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1001;
B:2001;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 A:500;
A:501;
A:503;
A:506;
A:507;
A:508;
A:509;
A:510;
B:502;
B:504;
B:505;
B:511;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HJ3 2.5 Å EC: 1.-.-.- STRUCTURE OF THE ARABIDOPSIS THALIANA ERV1 THIOL OXIDASE ARABIDOPSIS THALIANA FOUR-HELIX BUNDLE FLAVIN ADENINE DINUCLEOTIDE OXIDOREDUCTASE
Ref.: GAIN OF FUNCTION IN AN ERV/ALR SULFHYDRYL OXIDASE BY MOLECULAR ENGINEERING OF THE SHUTTLE DISULFIDE. J.MOL.BIOL. V. 362 89 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 2HJ3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2HJ3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3U2M - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3U2L - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3O55 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 2HJ3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1JR8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1JRA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3MBG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 3U5S - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1OQC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: 179
This union binding pocket(no: 1) in the query (biounit: 2hj3.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 1HBK MYR None
3 4F4S EFO None
4 4RJD TFP None
5 2E3N 6CM None
6 6BR8 6OU None
7 1HBK COA None
8 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO None
9 4O4Z N2O None
10 2Q4X HMH None
11 5TVI MYR None
12 5NNT DPV None
13 5IUY BOG None
14 2F2G HMH None
15 2YJD YJD None
16 1YYE 196 None
17 6BR8 PGV None
18 5XJ7 87O None
19 1DB1 VDX None
20 5MWE TCE None
21 1GEG GLC None
22 3OLL EST None
23 1U3R 338 None
24 4WG0 CHD None
25 5AZC PGT 1.6
26 1UUO FMN 1.6
27 1UUO ORO 1.6
28 1RZM E4P 1.6
29 1NF8 BOG 2.4
30 5C1M OLC 2.4
31 5NM7 GLY 2.4
32 3LN0 52B 2.4
33 5X3R 7Y3 2.4
34 4FHT DHB 2.4
35 1E4I NFG 3.2
36 3AI3 SOE 3.2
37 1BZL GCG 3.2
38 3Q85 GNP 3.2
39 1M2Z BOG 4
40 4MRP GSH 4
41 4RW3 SHV 4
42 2CIX CEJ 4
43 1I0B PEL 4
44 2VDY HCY 4
45 4RYV ZEA 4
46 2Q2Y ADP 4
47 2Q2Y MKR 4
48 4OYA 1VE 4
49 2GJ3 FAD 4.16667
50 3X01 AMP 4.8
51 6A0S NDP 4.8
52 5B4B LP5 4.8
53 3OKI OKI 4.8
54 1SBR VIB 4.8
55 4M52 M52 4.8
56 4D06 X8W 4.8
57 5KAU RHQ 4.8
58 5LWY OLB 4.8
59 3I9U DTU 4.8
60 3RUU 37G 4.8
61 1MID LAP 5.49451
62 5DCH 1YO 5.6
63 5LX9 OLB 5.6
64 1UUY PPI 5.6
65 4A7W GTP 5.6
66 1J6X MET 5.6
67 2WR1 NAG 5.6
68 2CJW GDP 5.6
69 4DZ1 DAL 5.6
70 2D5X L35 5.6
71 2WOR 2AN 6
72 3H2K BOG 6.4
73 1GNI OLA 6.4
74 4DE3 DN8 6.4
75 4DDY DN6 6.4
76 3FAL LO2 6.4
77 5V3Y 5V8 6.4
78 3FAL REA 6.4
79 3E70 GDP 6.4
80 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.2
81 2V5E SCR 7.2
82 4OKD GLC GLC GLC 7.2
83 1ZED PNP 7.2
84 3VRV YSD 7.2
85 5CX6 CDP 7.2
86 4QO5 NAG 7.2
87 4V3I ASP LEU THR ARG PRO 7.2
88 3P0K FAD 8
89 2BHW NEX 8
90 3HP9 CF1 8
91 4XCP PLM 8
92 1TV5 N8E 8
93 5LXT GDP 8
94 3NB0 G6P 8
95 1R6N 434 8.8
96 1ZPD CIT 8.8
97 4UCC ZKW 8.8
98 4WO4 JLS 8.8
99 3HDY FAD 8.8
100 5C9J DAO 9.6
101 4OB6 S2T 9.6
102 4M73 M72 9.6
103 3KFC 61X 9.6
104 1NU4 MLA 10.3093
105 3AHQ FAD 10.4
106 5W7B MYR 10.4
107 1DTL BEP 10.4
108 3B6C SDN 10.4
109 5OLK DTP 10.4
110 1XVB 3BR 10.4
111 2GWH PCI 11.2
112 2Y69 CHD 11.2
113 4USF 6UI 11.2
114 5UC4 83S 12
115 4G86 BNT 12
116 1XZ3 ICF 12
117 3QUZ QUV 12
118 3IS2 FAD 12
119 5Z84 CHD 12.2449
120 5ZCO CHD 12.2449
121 5W97 CHD 12.2449
122 6GMN F4E 12.3711
123 2CB8 MYA 12.6437
124 2BCG GER 12.8
125 4OGQ 7PH 13.6
126 4OGQ 1O2 13.6
127 4OGQ UMQ 13.6
128 1YC4 43P 13.6
129 5X5M 7YU 13.6
130 6D28 NEC 14.4
131 6CB2 OLC 15.2
132 4TV1 36M 16
133 4MG8 27J 16
134 5V4R MGT 16
135 4MGD 27N 16
136 5DXE EST 16
137 5AAV GW5 16
138 2QA8 GEN 16
139 5WGQ EST 16
140 4MGA 27L 16
141 2QE4 JJ3 16
142 3UUD EST 16
143 5WGD EST 16
144 4TUZ 36J 16
145 5HYR EST 16
146 6BJO DUY 16
147 6A5Y 9R0 16
148 4URX FK1 16.8
149 3R9V DXC 16.8
150 6BVM EBV 16.8
151 6BVK EAV 16.8
152 6BVJ EAS 16.8
153 6BVL EBY 16.8
154 6BVI EC4 16.8
155 6D5L FW7 16.8
156 6D5H FV7 16.8
157 6D59 FVJ 16.8
158 2PFC PLM 16.8
159 6D5G FVD 16.8
160 6D5V FVY 16.8
161 2XN3 ID8 17.5
162 3UST FAD 17.6
163 3M31 FAD 17.6
164 2XN5 FUN 20
165 1Y4Z PCI 20
166 2Z7I 742 20.8
167 3QCP FAD 22.4
168 3ZLR X0B 22.4
169 5M36 9SZ 24.8
170 1KTG AMP 24.8
171 5OCA 9QZ 28
172 3LLI FAD 28.8
173 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 28.8
174 5LGA 6VH 28.8
175 5E7V M7E 28.8
176 4ZGM 32M 29.0323
177 3T58 FAD 30.4
178 3GWL FAD 35.8491
179 3GWN FAD 35.9649
Pocket No.: 2; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2hj3.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2hj3.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 2hj3.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3W5N RAM 5.6
Pocket No.: 5; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: 133
This union binding pocket(no: 5) in the query (biounit: 2hj3.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4MNS 2AX None
2 2I0G I0G None
3 1MT1 AG2 None
4 2ALG DAO None
5 6BR9 6OU None
6 3LDW ZOL None
7 2HFP NSI None
8 2YLD CMO None
9 1JAY F42 None
10 3F8C HT1 None
11 3FUR Z12 None
12 6BR9 PGV None
13 5Y02 HBX None
14 2QQC AG2 None
15 2HPL ASP ASP LEU TYR GLY None
16 3E85 BSU None
17 4URN NOV None
18 1N9L FMN None
19 1N13 AG2 None
20 2GBB CIT 1.6
21 1UUO BRF 1.6
22 5CHR 4NC 1.6
23 3HSS MLA 1.6
24 3D9F N6C 1.6
25 3D9F FAD 1.6
26 4X8D AVI 2.4
27 2UW1 GVM 2.4
28 5UC9 MYR 2.4
29 4RC8 STE 2.4
30 6B21 C9V 2.4
31 3TDC 0EU 3.2
32 3RWP ABQ 3.2
33 3B9Z CO2 3.2
34 3WYJ H78 3.2
35 5FS0 5JC 3.2
36 5C2H 4XU 3.2
37 1C9K 5GP 3.2
38 5C2H 4PX 3.2
39 4IN9 SER TRP PHE PRO 3.2
40 3L1N PLM 3.60825
41 1MO9 KPC 4
42 3KDU NKS 4
43 1MO9 FAD 4
44 5TKL G3H 4
45 2V95 HCY 4
46 4DOO DAO 4
47 3RV5 DXC 4.49438
48 2HHP FLC 4.8
49 2RH1 CLR 4.8
50 5IM3 DTP 4.8
51 5UGW GSH 4.8
52 3IX9 MTX 5.6
53 4LPG 1MV 5.6
54 3HYW DCQ 5.6
55 4OAR 2S0 5.6
56 5VRH OLB 5.6
57 3B99 U51 5.6
58 4Y9J UCC 5.6
59 1EJH M7G 5.6
60 3ZGJ RMN 5.6
61 1EWF PC1 6.4
62 6DIO CIT 6.4
63 2JHP GUN 6.4
64 1SJD NPG 6.4
65 4DE2 DN3 6.4
66 5MU6 MYA 6.4
67 5MU6 KFK 6.4
68 3WCA FPS 6.4
69 2GJ5 VD3 6.4
70 6ARJ BW4 6.4
71 5BYK OAQ 6.4
72 6ARJ SAH 6.4
73 5BYK A3P 6.4
74 5URY PAM 7.2
75 6BMS POV 7.2
76 4C2X NHW 7.2
77 3N7H DE3 7.2
78 4EKQ NPO 7.2
79 4JZX 476 7.2
80 4WGF HX2 7.2
81 4X6F 3XU 7.2
82 3HR1 PF9 7.2
83 3FAP ARD 7.44681
84 5DKK FMN 7.58621
85 2Q4G CIT 8
86 2JC9 ADN 8
87 4F7E 0SH 8
88 3HUJ AGH 8
89 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 8
90 2A1L PCW 8
91 4I90 CHT 8.8
92 3KO0 TFP 8.91089
93 3RUG DB6 9.6
94 3RMK BML 9.6
95 2P4Y C03 9.6
96 2RKN LP3 10.3896
97 4YSX E23 10.4
98 2P1C GG3 10.4
99 2YNC YNC 10.4
100 5NTP 98E 10.4
101 2YNE YNE 10.4
102 2YNE NHW 10.4
103 6C0B PAM 11.2
104 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 11.2
105 5WL1 CUY 11.2
106 5WL1 D3D 11.2
107 5DJU FMN 11.2
108 2HZL PYR 12
109 3G08 FEE 12
110 3D72 FAD 12
111 3KP6 SAL 12
112 4PGK Y69 12
113 2E2R 2OH 12
114 1UCD U5P 12.8
115 3O01 DXC 12.8
116 3BPX SAL 12.8
117 2VWA PTY 12.8713
118 3L9R L9R 13.6
119 2WSA MYA 13.6
120 2WSA 646 13.6
121 3DFR MTX 13.6
122 3EWK FAD 14.4
123 4IA6 EIC 14.4
124 1PU7 39A 16
125 4MG9 27K 16
126 2BJ4 OHT 16
127 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 16
128 2QZO KN1 16
129 5ZQ4 AMP 16.6667
130 1IYK MYA 16.8
131 1UO4 PIH 17.6471
132 1UO5 PIH 17.6471
133 1M13 HYF 21.6
Pocket No.: 6; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2hj3.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2hj3.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: 4
This union binding pocket(no: 8) in the query (biounit: 2hj3.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2QCX PF1 3.2
2 5XJD 87L 4
3 3SCM LGN 9.6
4 3KPE TM3 28.2051
Pocket No.: 9; Query (leader) PDB : 2HJ3; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2hj3.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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