Receptor
PDB id Resolution Class Description Source Keywords
5ECM 1.6 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF FIN219-FIP1 COMPLEX WITH JA AND LEU ARABIDOPSIS THALIANA JASMONATE-AMIDO SYNTHETASE GLUTATHIONE S-TRANSFERASE LIGASTRANSFERASE COMPLEX
Ref.: STRUCTURAL BASIS OF JASMONATE-AMIDO SYNTHETASE FIN2 COMPLEX WITH GLUTATHIONE S-TRANSFERASE FIP1 DURING SIGNAL REGULATION PROC. NATL. ACAD. SCI. V. 114 E1815 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSH B:301;
C:301;
E:301;
F:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
LEU A:602;
D:602;
Valid;
Valid;
none;
none;
submit data
131.173 C6 H13 N O2 CC(C)...
JAA A:601;
D:601;
Valid;
Valid;
none;
none;
submit data
210.27 C12 H18 O3 CC/C=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ECP 2.25 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF FIN219-FIP1 COMPLEX WITH JA, MET AND AT ARABIDOPSIS THALIANA JASMONATE-AMIDO SYNTHETASE GLUTATHIONE S-TRANSFERASE LIGASTRANSFERASE COMPLEX
Ref.: STRUCTURAL BASIS OF JASMONATE-AMIDO SYNTHETASE FIN2 COMPLEX WITH GLUTATHIONE S-TRANSFERASE FIP1 DURING SIGNAL REGULATION PROC. NATL. ACAD. SCI. V. 114 E1815 2017 U.S.A.
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 5ECQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 5ECM - LEU C6 H13 N O2 CC(C)C[C@@....
3 5ECK - ILE C6 H13 N O2 CC[C@H](C)....
4 5ECH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 5ECI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 5ECP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 5ECN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ECO - LEU C6 H13 N O2 CC(C)C[C@@....
9 5ECR - JAA C12 H18 O3 CC/C=CC[C@....
10 5ECL - ILE C6 H13 N O2 CC[C@H](C)....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 5ECQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 5ECM - LEU C6 H13 N O2 CC(C)C[C@@....
3 5ECK - ILE C6 H13 N O2 CC[C@H](C)....
4 5ECH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 5ECI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 5ECP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 5ECN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ECO - LEU C6 H13 N O2 CC(C)C[C@@....
9 5ECR - JAA C12 H18 O3 CC/C=CC[C@....
10 5ECL - ILE C6 H13 N O2 CC[C@H](C)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 5ECQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 5ECM - LEU C6 H13 N O2 CC(C)C[C@@....
3 5ECK - ILE C6 H13 N O2 CC[C@H](C)....
4 5ECH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 5ECI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 5ECP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 5ECN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ECO - LEU C6 H13 N O2 CC(C)C[C@@....
9 5ECR - JAA C12 H18 O3 CC/C=CC[C@....
10 5ECL - ILE C6 H13 N O2 CC[C@H](C)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GSH; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GDS 0.672727 0.837209
6 GS8 0.672727 0.840909
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 TS5 0.573529 0.880952
16 GSB 0.528571 0.878049
17 0HH 0.528571 0.782609
18 GSO 0.521127 0.857143
19 BOB 0.493506 0.75
20 GTB 0.493333 0.631579
21 GBI 0.486842 0.782609
22 48T 0.481013 0.8
23 ESG 0.480519 0.62069
24 GTD 0.480519 0.6
25 L9X 0.480519 0.62069
26 1R4 0.474359 0.62069
27 GIP 0.474359 0.6
28 GPS 0.468354 0.72
29 GPR 0.468354 0.72
30 GBP 0.468354 0.6
31 GAZ 0.457831 0.679245
32 GVX 0.45679 0.8
33 HFV 0.447761 0.8
34 ASV 0.446154 0.9
35 GNB 0.445783 0.6
36 VB1 0.444444 0.9
37 W05 0.444444 0.923077
38 LZ6 0.436782 0.692308
39 ACV 0.430769 0.878049
40 BCV 0.424242 0.9
41 CDH 0.424242 0.818182
42 2G2 0.42029 0.615385
43 HGA 0.42 0.622222
44 MEQ 0.411765 0.658537
45 M8F 0.411765 0.837209
46 TS4 0.410256 0.804348
47 M9F 0.405797 0.837209
48 M2W 0.4 0.8
49 KKA 0.4 0.894737
50 ACW 0.4 0.8
Ligand no: 2; Ligand: LEU; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU 1 1
2 ABA 0.565217 0.826087
3 DBB 0.565217 0.826087
4 2RA 0.5 0.62069
5 DSN 0.5 0.642857
6 SER 0.5 0.642857
7 ALA 0.5 0.681818
8 DAL 0.5 0.681818
9 NVA 0.481481 0.8
10 C2N 0.48 0.72
11 DCY 0.48 0.692308
12 CYS 0.48 0.692308
13 DAS 0.461538 0.642857
14 ASP 0.461538 0.642857
15 MLE 0.448276 0.84
16 DAB 0.444444 0.6
17 VAL 0.44 0.772727
18 SYM 0.4375 0.730769
19 API 0.428571 0.62069
20 HCS 0.428571 0.642857
21 ILE 0.428571 0.791667
22 AS2 0.428571 0.692308
23 ONL 0.419355 0.689655
24 NLE 0.419355 0.740741
25 CSS 0.413793 0.62069
26 MSE 0.40625 0.645161
27 MED 0.40625 0.666667
28 MET 0.40625 0.666667
29 DGL 0.4 0.642857
30 GLU 0.4 0.642857
31 GGL 0.4 0.642857
Ligand no: 3; Ligand: JAA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JAA 1 1
2 JAI 0.59375 0.65
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ECP; Ligand: ATP; Similar sites found: 76
This union binding pocket(no: 1) in the query (biounit: 5ecp.bio2) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H2U 1N1 0.02736 0.40409 2.62172
2 3G58 988 0.02265 0.40501 3.14961
3 2WZM NA7 0.02278 0.40194 3.18021
4 4ZM4 PLP 0.04393 0.40339 3.3557
5 5IFK HPA 0.02337 0.42781 3.52564
6 1XM4 PIL 0.04143 0.40137 4.0201
7 1N6B DMZ 0.03184 0.40085 4.03587
8 3JU6 ANP 0.04555 0.40986 4.32432
9 2WH8 II2 0.04192 0.40111 4.35835
10 5K0S 0OU 0.006138 0.43216 4.4843
11 4D4U FUC GAL 0.02039 0.42264 4.4843
12 4G9N NGA 0.01122 0.43695 4.8951
13 2J5V RGP 0.008792 0.44768 4.90463
14 5EWK P34 0.03002 0.42204 5
15 3SQP 3J8 0.02625 0.42838 5.43933
16 4P6C RES 0.03372 0.40272 5.46218
17 2AJH MET 0.04325 0.41095 5.61225
18 4URN NOV 0.03466 0.41646 5.77778
19 2X1L MET 0.01729 0.43132 5.8296
20 1RL4 BRR 0.03803 0.41423 5.85106
21 5F7J ADE 0.0352 0.41734 5.9375
22 5X30 HCS 0.03312 0.41129 6.03015
23 5FUI APY 0.01565 0.43401 6.06061
24 1I1E DM2 0.01373 0.43862 6.27803
25 4KBA 1QM 0.02115 0.42408 6.27803
26 5U5G 7VD 0.0425 0.41155 6.27803
27 2QZO KN1 0.02328 0.40149 6.58915
28 2E2P ADP 0.02973 0.40547 6.68896
29 1TV5 N8E 0.003049 0.48479 6.72646
30 5MSD AMP 0.01274 0.42036 6.72646
31 1VRP ADP 0.01915 0.41507 6.72646
32 5MSD BEZ 0.02118 0.40057 6.72646
33 2BJ4 OHT 0.01571 0.40656 6.74603
34 3B6R ADP 0.01941 0.41142 7.17489
35 1I58 ADP 0.0364 0.40104 7.17489
36 5LPG 71V 0.01756 0.42841 7.31707
37 5V4R MGT 0.03754 0.41615 7.40741
38 5TME UDP 0.04798 0.40135 7.62332
39 3OF1 CMP 0.03806 0.40669 8.07175
40 5MRH Q9Z 0.0453 0.40622 8.07175
41 4F8L AES 0.01581 0.43746 8.27586
42 5TWO 7MV 0.007394 0.42161 8.52018
43 2G30 ALA ALA PHE 0.0006843 0.48212 8.52713
44 3B6C SDN 0.04064 0.41263 8.54701
45 3T50 FMN 0.02364 0.40118 8.59375
46 4B1X LAB 0.02014 0.42523 8.96861
47 3W54 RNB 0.01803 0.40978 8.96861
48 3P9T TCL 0.02837 0.41342 9.13242
49 4YSX E23 0.02911 0.42066 9.61539
50 3A16 PXO 0.01789 0.40109 9.86547
51 5GWE GWM 0.0439 0.40696 10.3139
52 2V57 PRL 0.01037 0.44639 10.5263
53 5MST FUM 0.02837 0.41722 10.6087
54 5MST AMP 0.0229 0.41117 10.6087
55 1UY4 XYP XYP XYP XYP 0.02635 0.42328 11.0345
56 3WFD AXO 0.002802 0.46791 11.6438
57 2W3L DRO 0.04778 0.40884 11.8056
58 4DZ1 DAL 0.01194 0.44087 11.9691
59 4M8D 23J 0.02787 0.4217 12.5561
60 3WUR O4B 0.0465 0.42019 12.8655
61 3OCP CMP 0.04399 0.40336 12.9496
62 3BEJ MUF 0.006411 0.41824 13.0252
63 2CNT COA 0.01051 0.40083 13.125
64 5O4F 8VE 0.01625 0.41864 13.5659
65 4V3I ASP LEU THR ARG PRO 0.038 0.41834 13.6187
66 4CYD CMP 0.01702 0.41422 14.2857
67 1G3Q ADP 0.02077 0.41681 14.346
68 1C1X HFA 0.02842 0.40982 14.3498
69 4I9B NAD 0.02068 0.40105 14.3498
70 3GCM 5GP 0.03993 0.41279 14.6341
71 2JCB ADP 0.03198 0.40718 16
72 2VWA PTY 0.03507 0.41084 16.8317
73 3W68 PBU 0.02631 0.42229 19.5489
74 4EZW ASN ARG LEU LEU LEU THR GLY 0.01699 0.41425 19.6347
75 5H4I 7HQ 0.03309 0.40777 20.7547
76 4CQK PIO 0.04169 0.41193 21.2766
Pocket No.: 2; Query (leader) PDB : 5ECP; Ligand: JAA; Similar sites found: 70
This union binding pocket(no: 2) in the query (biounit: 5ecp.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F5V FMN 0.008545 0.42093 2.5
2 3G58 988 0.02165 0.40501 3.14961
3 2WZM NA7 0.02175 0.40194 3.18021
4 4ZM4 PLP 0.04605 0.40141 3.3557
5 5IFK HPA 0.02251 0.42781 3.52564
6 1XM4 PIL 0.0398 0.40137 4.0201
7 5E58 CPZ 0.04216 0.41331 4.03587
8 1U59 STU 0.02447 0.40246 4.03587
9 4GXQ ATP 0.01707 0.40113 4.03587
10 3JU6 ANP 0.04618 0.40864 4.32432
11 2WH8 II2 0.04027 0.40111 4.35835
12 4D4U FUC GAL 0.01968 0.42264 4.4843
13 5K0S 0OU 0.009591 0.42191 4.4843
14 3VV5 SLZ 0.04516 0.4054 4.61538
15 4G9N NGA 0.01081 0.43695 4.8951
16 2J5V RGP 0.008447 0.44768 4.90463
17 1GPM AMP 0.04541 0.40938 4.93274
18 3SQP 3J8 0.0253 0.42838 5.43933
19 4P6C RES 0.03234 0.40272 5.46218
20 2AJH MET 0.04175 0.41095 5.61225
21 4URN NOV 0.03337 0.41646 5.77778
22 1RL4 BRR 0.03662 0.41423 5.85106
23 5F7J ADE 0.03392 0.41734 5.9375
24 5X30 HCS 0.03205 0.41129 6.03015
25 5FUI APY 0.01513 0.43401 6.06061
26 1I1E DM2 0.0153 0.43508 6.27803
27 4KBA 1QM 0.02116 0.42313 6.27803
28 5U5G 7VD 0.04094 0.41155 6.27803
29 2E2P ADP 0.0285 0.40547 6.68896
30 1TV5 N8E 0.002925 0.48479 6.72646
31 5MSD AMP 0.01217 0.42036 6.72646
32 1VRP ADP 0.01938 0.41386 6.72646
33 5MSD BEZ 0.02021 0.40057 6.72646
34 3B6R ADP 0.01953 0.41034 7.17489
35 1I58 ADP 0.03492 0.40104 7.17489
36 5LPG 71V 0.01685 0.42841 7.31707
37 5V4R MGT 0.03629 0.41615 7.40741
38 5TME UDP 0.04862 0.40016 7.62332
39 4F8L AES 0.01525 0.43746 8.27586
40 2G30 ALA ALA PHE 0.0006578 0.48212 8.52713
41 4B1X LAB 0.02071 0.42362 8.96861
42 3W54 RNB 0.01722 0.40978 8.96861
43 4YSX E23 0.02801 0.42066 9.61539
44 3A16 PXO 0.0173 0.40109 9.86547
45 2YVE MBT 0.02984 0.40447 10.2703
46 5GWE GWM 0.04226 0.40696 10.3139
47 2V57 PRL 0.00997 0.44639 10.5263
48 5MST FUM 0.02726 0.41722 10.6087
49 5MST AMP 0.02193 0.41117 10.6087
50 3WFD AXO 0.002698 0.46791 11.6438
51 2W3L DRO 0.04609 0.40884 11.8056
52 4DZ1 DAL 0.01148 0.44087 11.9691
53 4M8D 23J 0.02681 0.4217 12.5561
54 3WUR O4B 0.04503 0.42019 12.8655
55 3BEJ MUF 0.006078 0.41824 13.0252
56 5O4F 8VE 0.01554 0.41864 13.5659
57 4V3I ASP LEU THR ARG PRO 0.03667 0.41834 13.6187
58 4CYD CMP 0.01627 0.41422 14.2857
59 1G3Q ADP 0.01991 0.41681 14.346
60 1C1X HFA 0.02726 0.40982 14.3498
61 4I9B NAD 0.01954 0.40124 14.3498
62 3GCM 5GP 0.03874 0.41279 14.6341
63 3LL5 IP8 0.0461 0.40954 15.6627
64 2JCB ADP 0.03069 0.40718 16
65 2VWA PTY 0.03394 0.41084 16.8317
66 3W68 PBU 0.02536 0.42229 19.5489
67 4EZW ASN ARG LEU LEU LEU THR GLY 0.01624 0.41425 19.6347
68 5H4I 7HQ 0.03202 0.40777 20.7547
69 4CQK PIO 0.0402 0.41193 21.2766
70 4JX1 CAH 0.04353 0.40328 28.3186
Pocket No.: 3; Query (leader) PDB : 5ECP; Ligand: MET; Similar sites found: 70
This union binding pocket(no: 3) in the query (biounit: 5ecp.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F5V FMN 0.008545 0.42093 2.5
2 3G58 988 0.02165 0.40501 3.14961
3 2WZM NA7 0.02175 0.40194 3.18021
4 4ZM4 PLP 0.04605 0.40141 3.3557
5 5IFK HPA 0.02251 0.42781 3.52564
6 1XM4 PIL 0.0398 0.40137 4.0201
7 5E58 CPZ 0.04216 0.41331 4.03587
8 1U59 STU 0.02447 0.40246 4.03587
9 4GXQ ATP 0.01707 0.40113 4.03587
10 3JU6 ANP 0.04618 0.40864 4.32432
11 2WH8 II2 0.04027 0.40111 4.35835
12 4D4U FUC GAL 0.01968 0.42264 4.4843
13 5K0S 0OU 0.009591 0.42191 4.4843
14 3VV5 SLZ 0.04516 0.4054 4.61538
15 4G9N NGA 0.01081 0.43695 4.8951
16 2J5V RGP 0.008447 0.44768 4.90463
17 1GPM AMP 0.04541 0.40938 4.93274
18 3SQP 3J8 0.0253 0.42838 5.43933
19 4P6C RES 0.03234 0.40272 5.46218
20 2AJH MET 0.04175 0.41095 5.61225
21 4URN NOV 0.03337 0.41646 5.77778
22 1RL4 BRR 0.03662 0.41423 5.85106
23 5F7J ADE 0.03392 0.41734 5.9375
24 5X30 HCS 0.03205 0.41129 6.03015
25 5FUI APY 0.01513 0.43401 6.06061
26 1I1E DM2 0.0153 0.43508 6.27803
27 4KBA 1QM 0.02116 0.42313 6.27803
28 5U5G 7VD 0.04094 0.41155 6.27803
29 2E2P ADP 0.0285 0.40547 6.68896
30 1TV5 N8E 0.002925 0.48479 6.72646
31 5MSD AMP 0.01217 0.42036 6.72646
32 1VRP ADP 0.01938 0.41386 6.72646
33 5MSD BEZ 0.02021 0.40057 6.72646
34 3B6R ADP 0.01953 0.41034 7.17489
35 1I58 ADP 0.03492 0.40104 7.17489
36 5LPG 71V 0.01685 0.42841 7.31707
37 5V4R MGT 0.03629 0.41615 7.40741
38 5TME UDP 0.04862 0.40016 7.62332
39 4F8L AES 0.01525 0.43746 8.27586
40 2G30 ALA ALA PHE 0.0006578 0.48212 8.52713
41 4B1X LAB 0.02071 0.42362 8.96861
42 3W54 RNB 0.01722 0.40978 8.96861
43 4YSX E23 0.02801 0.42066 9.61539
44 3A16 PXO 0.0173 0.40109 9.86547
45 2YVE MBT 0.02984 0.40447 10.2703
46 5GWE GWM 0.04226 0.40696 10.3139
47 2V57 PRL 0.00997 0.44639 10.5263
48 5MST FUM 0.02726 0.41722 10.6087
49 5MST AMP 0.02193 0.41117 10.6087
50 3WFD AXO 0.002698 0.46791 11.6438
51 2W3L DRO 0.04609 0.40884 11.8056
52 4DZ1 DAL 0.01148 0.44087 11.9691
53 4M8D 23J 0.02681 0.4217 12.5561
54 3WUR O4B 0.04503 0.42019 12.8655
55 3BEJ MUF 0.006078 0.41824 13.0252
56 5O4F 8VE 0.01554 0.41864 13.5659
57 4V3I ASP LEU THR ARG PRO 0.03667 0.41834 13.6187
58 4CYD CMP 0.01627 0.41422 14.2857
59 1G3Q ADP 0.01991 0.41681 14.346
60 1C1X HFA 0.02726 0.40982 14.3498
61 4I9B NAD 0.01954 0.40124 14.3498
62 3GCM 5GP 0.03874 0.41279 14.6341
63 3LL5 IP8 0.0461 0.40954 15.6627
64 2JCB ADP 0.03069 0.40718 16
65 2VWA PTY 0.03394 0.41084 16.8317
66 3W68 PBU 0.02536 0.42229 19.5489
67 4EZW ASN ARG LEU LEU LEU THR GLY 0.01624 0.41425 19.6347
68 5H4I 7HQ 0.03202 0.40777 20.7547
69 4CQK PIO 0.0402 0.41193 21.2766
70 4JX1 CAH 0.04353 0.40328 28.3186
Pocket No.: 4; Query (leader) PDB : 5ECP; Ligand: GSH; Similar sites found: 49
This union binding pocket(no: 4) in the query (biounit: 5ecp.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P2H MTA 0.0106 0.41462 3.48259
2 2VCX GSH 0.005253 0.45717 4.0201
3 2VCX D26 0.005253 0.45717 4.0201
4 1TU7 GSH 0.001876 0.42539 5.28846
5 2JAC GSH 0.00002318 0.46378 6.36364
6 1EFV AMP 0.0445 0.41168 6.72646
7 3L4N GSH 0.00008321 0.52047 8.66142
8 3RHC GSH 0.0002438 0.45777 8.84956
9 5KQA GSH 0.00004935 0.53284 9.09091
10 5H5L GSH 0.001582 0.44127 9.90099
11 2C80 GTX 0.02111 0.41146 10.3139
12 1PD2 GSH 0.0002002 0.43584 11.0553
13 1YDK GTX 0.012 0.41653 11.7117
14 2HNL GSH 0.0008663 0.43568 13.7778
15 1DUG GSH 0.007082 0.43644 13.9013
16 1M0U GSH 0.00243 0.4442 14.0562
17 2WCI GSH 0.0006286 0.473 14.0741
18 3VPQ GSH 0.0001306 0.4272 15.1961
19 4G19 GSH 0.00007241 0.49757 17.9372
20 1ZL9 GSH 0.0002864 0.49374 19.3237
21 5AN1 GSH 0.007224 0.42069 21.9178
22 2GSR GTS 0.0007849 0.43864 22.2222
23 4TR1 GSH 0.0004664 0.42475 23.913
24 5F05 GSH 0.0002466 0.46617 25.4717
25 4RI6 GSH 0.0003324 0.45383 29.3023
26 3N5O GSH 0.0002542 0.48283 29.5964
27 2C3Q GTX 0.002346 0.42839 31.9838
28 4AGS GSH 0.000002962 0.52898 32.287
29 5F06 GSH 0.000559 0.4625 32.8704
30 3F6D GTX 0.0000695 0.4684 33.3333
31 2ON5 GSH 0.0007188 0.46936 33.4951
32 3VWX GSH 0.00008635 0.51496 34.2342
33 2IMI GSH 0.00004177 0.51711 34.3891
34 4F0B GDS 0.0009409 0.40105 34.5291
35 4YH2 GSH 0.00004524 0.48785 34.6847
36 3C8E GSH 0.000009193 0.53861 34.9776
37 3WYW GSH 0.00001509 0.5525 35.6481
38 4PNG GSF 0.0000684 0.48067 35.8744
39 4G10 GSH 0.02528 0.41054 35.8744
40 1AXD GGL CYW GLY 0.00005548 0.52448 36.8421
41 3WD6 GSH 0.00000003293 0.58904 39.0135
42 4ZB6 GDS 0.0003307 0.41537 39.4619
43 4IS0 1R4 0.03014 0.41515 39.9103
44 4IS0 GDS 0.02269 0.41484 39.9103
45 5LOL GSH 0.000002925 0.60659 40
46 1JLV GSH 0.00005378 0.51745 40.6699
47 1PN9 GTX 0.0001138 0.45148 40.6699
48 1K0D GSH 0.0007687 0.45567 40.8072
49 1V2A GTS 0.000003877 0.58814 43.3333
Pocket No.: 5; Query (leader) PDB : 5ECP; Ligand: GSH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5ecp.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5ECP; Ligand: JAA; Similar sites found: 45
This union binding pocket(no: 6) in the query (biounit: 5ecp.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H2U 1N1 0.02803 0.40448 2.62172
2 4J6C STR 0.03756 0.41541 2.69058
3 2WBP ZZU 0.01671 0.40075 2.69058
4 2WBP SIN 0.01671 0.40075 2.69058
5 4WYU SER TRP PHE GLN THR ASP LEU 0.03413 0.40025 2.83019
6 4XNV BUR 0.007447 0.45089 4.038
7 5F6U 5VK 0.01564 0.43541 4.4586
8 4RJD TFP 0.04454 0.40694 4.54545
9 5EWK P34 0.03321 0.41913 5
10 4ZYB 4SQ 0.02553 0.41313 5.22388
11 3B6O TMP 0.04101 0.41329 5.38117
12 4ZEV M6P 0.01784 0.41754 5.40541
13 2X1L MET 0.04726 0.40915 5.8296
14 1RL4 BL5 0.006232 0.40215 5.85106
15 1HXD BTN 0.02609 0.40297 5.919
16 4NOS H4B 0.03268 0.41941 6.08899
17 1VRP IOM 0.03087 0.42345 6.72646
18 5CPR 539 0.04376 0.40791 7.08955
19 3B6R CRN 0.02368 0.41308 7.17489
20 5BXV MGP 0.04305 0.42081 7.29167
21 1XK5 TPG 0.0329 0.4228 7.35294
22 1EJ4 M7G 0.03759 0.4245 7.36842
23 3TDC 0EU 0.0005508 0.45117 7.62332
24 2Y5S 78H 0.03025 0.40932 7.82313
25 4PAB THG 0.0174 0.41468 8.07175
26 5LWY OLB 0.01836 0.41691 8.41121
27 1N4K I3P 0.03347 0.41593 8.52018
28 1US5 GLU 0.02996 0.40954 8.52018
29 3B6C SDN 0.03305 0.4185 8.54701
30 1G2O IMH 0.02821 0.40435 8.58209
31 2X24 X24 0.01905 0.40652 8.96861
32 2XG5 EC2 0.02709 0.41619 9.24856
33 2XG5 EC5 0.02709 0.41619 9.24856
34 4RKK GLC GLC GLC GLC GLC GLC 0.02743 0.40814 9.63855
35 4RYV ZEA 0.0368 0.40835 9.67742
36 1M32 PLP 0.04314 0.41341 10.3139
37 5XJN 88L 0.03905 0.40358 10.3139
38 4ARE FLC 0.03128 0.40706 10.7623
39 1ZN7 HSX 0.03782 0.40772 11.1111
40 1ZN7 ADE 0.03782 0.40772 11.1111
41 2BOS GLA GAL GLC 0.04794 0.41495 11.7647
42 5N17 8FK 0.03826 0.41042 12.3188
43 3OCP CMP 0.03557 0.40913 12.9496
44 5MX4 HPA 0.04902 0.40666 13.7339
45 3NRZ MTE 0.01016 0.41623 16.4634
Pocket No.: 7; Query (leader) PDB : 5ECP; Ligand: GSH; Similar sites found: 11
This union binding pocket(no: 7) in the query (biounit: 5ecp.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VP5 NAP 0.02888 0.4091 3.58744
2 1MI3 NAD 0.009347 0.44019 5.8296
3 2WUL GSH 0.007336 0.41431 5.9322
4 1GSU GTX 0.01328 0.40868 5.93607
5 1U3I GSH 0.0152 0.41976 9.47867
6 3ISO GSH 0.001054 0.4424 11.4679
7 4H8N NDP 0.02838 0.41075 14.5161
8 3O76 GTB 0.0006528 0.41249 21.0526
9 2FHE GSH 0.0008244 0.44709 30.5556
10 1R5A GTS 0.01476 0.42589 36.6972
11 1N2A GTS 0.009696 0.41553 38.806
Pocket No.: 8; Query (leader) PDB : 5ECP; Ligand: GSH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5ecp.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5ECP; Ligand: MET; Similar sites found: 43
This union binding pocket(no: 9) in the query (biounit: 5ecp.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z9I GLY ALA THR VAL 0.006972 0.45864 1.85185
2 5H2U 1N1 0.02803 0.40448 2.62172
3 1GDE GLU PLP 0.0258 0.40029 2.69058
4 4WYU SER TRP PHE GLN THR ASP LEU 0.03413 0.40025 2.83019
5 1GT6 OLA 0.03365 0.40366 3.34572
6 4XNV BUR 0.007447 0.45089 4.038
7 5F6U 5VK 0.01564 0.43541 4.4586
8 3OZV ECN 0.03083 0.40557 4.4843
9 4RJD TFP 0.04454 0.40694 4.54545
10 5EWK P34 0.03321 0.41913 5
11 4ZYB 4SQ 0.02553 0.41313 5.22388
12 3B6O TMP 0.04101 0.41329 5.38117
13 2X1L MET 0.04726 0.40915 5.8296
14 1RL4 BL5 0.006232 0.40215 5.85106
15 1HXD BTN 0.02609 0.40297 5.919
16 1DJ9 KAM 0.03308 0.40092 6.27803
17 1VRP IOM 0.03087 0.42345 6.72646
18 5CPR 539 0.04376 0.40791 7.08955
19 3B6R CRN 0.02368 0.41308 7.17489
20 1XK5 TPG 0.03171 0.42355 7.35294
21 1EJ4 M7G 0.03759 0.4245 7.36842
22 3TDC 0EU 0.0005508 0.45117 7.62332
23 2Y5S 78H 0.04406 0.40086 7.82313
24 4PAB THG 0.0174 0.41468 8.07175
25 5HCN DAO 0.04483 0.41113 8.07175
26 5LWY OLB 0.01836 0.41691 8.41121
27 1N4K I3P 0.03347 0.41593 8.52018
28 5TWO 7MV 0.01251 0.41208 8.52018
29 3B6C SDN 0.03305 0.4185 8.54701
30 2J73 GLC GLC GLC GLC 0.04133 0.41442 8.73786
31 2XG5 EC2 0.02709 0.41619 9.24856
32 2XG5 EC5 0.02709 0.41619 9.24856
33 4RKK GLC GLC GLC GLC GLC GLC 0.03628 0.402 9.63855
34 4RYV ZEA 0.03391 0.41023 9.67742
35 1M32 PLP 0.04314 0.41341 10.3139
36 1ZN7 ADE 0.03833 0.40741 11.1111
37 1ZN7 HSX 0.03833 0.40741 11.1111
38 1DKF BMS 0.01498 0.40286 11.1588
39 2BOS GLA GAL GLC 0.04794 0.41495 11.7647
40 1OPB RET 0.02199 0.40357 13.4328
41 5MX4 HPA 0.04902 0.40666 13.7339
42 5E95 GDP 0.02179 0.40675 16.0714
43 3NRZ MTE 0.01016 0.41623 16.4634
Pocket No.: 10; Query (leader) PDB : 5ECP; Ligand: ATP; Similar sites found: 57
This union binding pocket(no: 10) in the query (biounit: 5ecp.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.003047 0.47968 None
2 2Z9I GLY ALA THR VAL 0.006217 0.46264 1.85185
3 5EE7 5MV 0.0106 0.4539 2.24215
4 2WBP SIN 0.01588 0.40355 2.69058
5 2WBP ZZU 0.01588 0.40355 2.69058
6 1GT6 OLA 0.03637 0.40366 3.34572
7 2FN8 RIP 0.02645 0.42532 3.63036
8 1Q8A HCS 0.04598 0.4124 4.03587
9 4XNV BUR 0.008014 0.45089 4.038
10 4DO1 ANN 0.02538 0.42445 4.14634
11 1BRW URA 0.02346 0.42997 4.38799
12 5F6U 5VK 0.01673 0.43541 4.4586
13 2ACO VCA 0.04359 0.4135 4.62428
14 1GPM AMP 0.01473 0.42525 4.93274
15 5FQK 6NT 0.04848 0.41091 4.93274
16 5FOI MY8 0.01812 0.40099 4.93274
17 4WOE ADP 0.02592 0.42786 5.38117
18 4WOE 3S5 0.04276 0.40983 5.38117
19 1VPD TLA 0.04487 0.40196 5.38117
20 1RZ1 NAD 0.04425 0.4101 5.59006
21 1RL4 BL5 0.005142 0.40744 5.85106
22 1HXD BTN 0.02541 0.40528 5.919
23 4O8O AHR 0.0341 0.40199 6.08696
24 4NOS H2B 0.02374 0.42876 6.08899
25 4NOS H4B 0.04174 0.41288 6.08899
26 1VRP IOM 0.0329 0.42345 6.72646
27 5CPR 539 0.04697 0.40791 7.08955
28 3B6R CRN 0.02517 0.41308 7.17489
29 5BXV MGP 0.04206 0.42229 7.29167
30 1XK5 TPG 0.0352 0.4228 7.35294
31 3TDC 0EU 0.0005916 0.45117 7.62332
32 2Y5S 78H 0.03244 0.40948 7.82313
33 5HCN DAO 0.02296 0.42903 8.07175
34 4PAB THG 0.01695 0.41704 8.07175
35 1N4K I3P 0.0358 0.41593 8.52018
36 1US5 GLU 0.03236 0.40954 8.52018
37 2Z7R STU 0.01821 0.40355 8.52018
38 1G2O IMH 0.03108 0.40399 8.58209
39 2X24 X24 0.01957 0.40776 8.96861
40 4CM4 4NR 0.01316 0.44713 9.02778
41 3JQB DX6 0.03321 0.42011 9.02778
42 2XG5 EC5 0.0289 0.41619 9.24856
43 2XG5 EC2 0.0289 0.41619 9.24856
44 3G4Q MCH 0.04391 0.40263 9.58904
45 4RKK GLC GLC GLC GLC GLC GLC 0.04081 0.40111 9.63855
46 1AV5 AP2 0.02626 0.41425 11.1111
47 1ZN7 HSX 0.04126 0.40741 11.1111
48 1ZN7 ADE 0.04126 0.40741 11.1111
49 4CT7 TRP 0.03314 0.41098 11.6592
50 3HP9 CF1 0.008543 0.45206 12.5561
51 3OKI OKI 0.02348 0.40118 13.3047
52 5MX4 HPA 0.04069 0.41194 13.7339
53 5E95 GDP 0.02619 0.40464 16.0714
54 4K55 H6P 0.01503 0.44398 16.9355
55 3QH2 3NM 0.04021 0.41546 23.5294
56 4JX1 CAM 0.04227 0.40758 28.3186
57 4IO2 GLU 0.03235 0.40625 32.6613
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