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Receptor
PDB id Resolution Class Description Source Keywords
5E9G 2.1 Å EC: 4.1.3.1 STRUCTURAL INSIGHTS OF ISOCITRATE LYASES FROM MAGNAPORTHE OR MAGNAPORTHE ORYZAE 70-15 TIM BETA/ALPHA-BARREL LYASE ACTIVITY LYASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF ISOCIT LYASES FROM MAGNAPORTHE ORYZAE AND FUSARIUM GRAMINE J.STRUCT.BIOL. V. 194 395 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLV B:601;
C:601;
A:601;
D:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
74.035 C2 H2 O3 C(=O)...
GOL D:602;
A:602;
B:602;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:603;
D:603;
C:602;
B:603;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E9G 2.1 Å EC: 4.1.3.1 STRUCTURAL INSIGHTS OF ISOCITRATE LYASES FROM MAGNAPORTHE OR MAGNAPORTHE ORYZAE 70-15 TIM BETA/ALPHA-BARREL LYASE ACTIVITY LYASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF ISOCIT LYASES FROM MAGNAPORTHE ORYZAE AND FUSARIUM GRAMINE J.STRUCT.BIOL. V. 194 395 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5E9G - GLV C2 H2 O3 C(=O)C(=O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5E9H - MLI C3 H2 O4 C(C(=O)[O-....
2 5E9G - GLV C2 H2 O3 C(=O)C(=O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5E9H - MLI C3 H2 O4 C(C(=O)[O-....
2 5E9G - GLV C2 H2 O3 C(=O)C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLV 1 1
2 MAE 0.5 0.666667
3 FUM 0.5 0.666667
4 OXD 0.416667 0.75
5 CCU 0.411765 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E9G; Ligand: GLV; Similar sites found with APoc: 99
This union binding pocket(no: 1) in the query (biounit: 5e9g.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1GZ4 ATP 0.907441
2 1O7Q GAL NAG 1.38408
3 1O7Q UDP 1.38408
4 5ABH YWN 1.42857
5 2X3J ATP 1.42857
6 5ZQS BXP 1.47874
7 2P53 NNG 1.57068
8 2G37 FAD 1.83486
9 5EPO TUD 1.9084
10 4IPE ANP 1.96429
11 2YIC TPP 1.96429
12 2TPL HPP 1.97368
13 2VHW NAI 2.12202
14 1EM6 NBG 2.14286
15 2F2H XTG 2.14286
16 5M42 FMN 2.15054
17 4I4Z 2NE 2.18182
18 2V2V V12 2.21402
19 3OJF NDP 2.33463
20 3LL5 ADP 2.40964
21 3LL5 IPE 2.40964
22 3IPQ 965 2.4735
23 4JYD SAH 2.58621
24 3VDB 149 2.67857
25 2GLX NDP 2.71084
26 4TXE 38F 2.72109
27 3VNM SDD 2.73038
28 3OU2 SAH 2.75229
29 1ESM COA 2.8481
30 6ENO BJ8 2.85036
31 5H62 UDP 2.87356
32 3JU6 ARG 2.97297
33 1KBJ FMN 3.15534
34 5TZO 7V7 3.19149
35 3S2U UD1 3.21429
36 4D9C PMP 3.21637
37 6GAS FAD 3.32326
38 1CER NAD 3.32326
39 3NKS FAD 3.3543
40 6F8B CXH 3.39286
41 3HQP OXL 3.60721
42 1NC4 DOF 3.72093
43 1NC2 DOE 3.72093
44 1DEK DGP 3.73444
45 2WZV FMN 3.82979
46 1SFF IK2 3.99061
47 5AEE NSQ 4.10714
48 4BG4 ARG 4.21348
49 4B7S QLE 4.3578
50 1HDG NAD 4.51807
51 2FLI DX5 4.54545
52 2YAJ 4HP 4.65116
53 4XJC TTP 5.08475
54 5Y2W PGA 5.12821
55 4M26 ZZU 5.21978
56 4M26 SIN 5.21978
57 4XPQ FUL 5.35714
58 1DJX I3P 5.44872
59 2IGA XX3 5.47945
60 4JB1 FAD 5.58824
61 4JB1 NAP 5.58824
62 2JBM SRT 5.68562
63 4I42 1HA 5.96491
64 1NN5 ANP 6.04651
65 1NN5 2DT 6.04651
66 2RDT 2RD 6.20155
67 2RDT FMN 6.20155
68 5XWV 8H6 6.65323
69 1E3W NAD 6.89655
70 6BFG FMN 7.01754
71 1TB3 FMN 7.10227
72 3CQD ATP 7.11974
73 1NJR XYL 7.39437
74 1FC4 AKB PLP 7.98005
75 2EXK XYS XYS 8.2243
76 5X3R 7Y3 8.29268
77 4N02 FNR 8.40336
78 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 9.45455
79 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 9.47368
80 3O9L LPN 9.63855
81 1QPR PPC 10.2113
82 4QLX KTC 10.5023
83 4MSG 2C6 10.5991
84 2NX1 PEP 10.8614
85 2NX1 RP5 10.8614
86 2NLI LAC 11.413
87 2NLI FMN 11.413
88 4NG2 OHN 11.5044
89 4DK7 0KS 12.1457
90 2ZE3 AKG 13.4545
91 1M1B SPV 13.8983
92 3B8I OXL 14.6341
93 2DUA OXL 14.8276
94 2ZFZ ARG 15.1899
95 3M0J OAF 18.241
96 5JIC ADP 18.315
97 5JIC N7E 18.315
98 1O5Q PYR 18.6885
99 1XG4 ICT 19.661
Pocket No.: 2; Query (leader) PDB : 5E9G; Ligand: GLV; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 5e9g.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5ABF XRJ 1.42857
2 2CHN NGT 1.42857
3 4NMC FAD 1.78571
4 5YF1 8V0 1.9337
5 2XG9 NOJ GLC 2.05607
6 3LZW FAD 2.10843
7 1GQG DCD 2.57143
8 5JXF ARG ASP 2.67857
9 6EXF LYS 2.68817
10 1H74 ADP 3.37838
11 2JFZ DGL 3.52941
12 2JFZ 003 3.52941
13 1AL8 FMN 3.62117
14 1MS9 LAT 4.28571
15 4YS0 ADP 4.64286
16 4Z87 GDP 4.7619
17 1VEM GLC GLC 4.84496
18 6FE1 V14 5.44747
19 5V7I 8Z1 6.09244
20 5IH1 GDP 6.29139
21 5IH1 6BQ 6.29139
22 4KWI NAP 6.84411
23 4KWI 1TJ 6.84411
24 6HOY AR6 6.95364
25 6HOY TSN 6.95364
26 4R6W SAH 6.97674
27 2J4K U5P 7.9646
Pocket No.: 3; Query (leader) PDB : 5E9G; Ligand: GLV; Similar sites found with APoc: 63
This union binding pocket(no: 3) in the query (biounit: 5e9g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z5I XYS 0.92081
2 5Z5I FUB 0.92081
3 1JS3 PLP 142 1.23457
4 4RW3 IPD 1.65563
5 1O68 KIV 1.81818
6 3ZGJ RMN 1.88679
7 4GAA BES 1.96429
8 3FV3 IVA VAL VAL STA ALA STA 2.0649
9 1N4K I3P 2.09974
10 1UM0 FMN 2.19178
11 5WBF LAC 2.22222
12 2A1L PCW 2.22222
13 1YKI NFZ 2.30415
14 6CQF F97 2.3569
15 3UXM 0DN 2.36967
16 1H5R THM 2.38908
17 1PX8 XYP 2.4
18 5KGS 6SR 2.407
19 4BUZ OCZ 2.43902
20 5GMD AGS 2.46154
21 5GMD DP6 2.46154
22 1KBI FMN 2.54403
23 5TED SKM 2.65487
24 3ZXR IQ1 2.88066
25 3ZXR P3S 2.88066
26 1HSL HIS 3.36134
27 5IKH 6BW 3.45455
28 4JWJ SAH 3.46535
29 1D09 PAL 3.54839
30 1CZA G6P 3.57143
31 1AL8 DHP 3.62117
32 4POW OP1 3.77358
33 3W6C NAG NAG 3.82514
34 4WP9 ZDA 3.9548
35 2NYA MGD 4.0404
36 1NYW DAU 4.06091
37 2GQT FAD 4.10448
38 4HE2 AMP 4.14201
39 1Q6O LG6 4.16667
40 3H0A 9RA 4.38596
41 3WGC PLG 4.39883
42 2WMH GAL FUC 4.46429
43 1VRP ADP 4.98688
44 1VL8 NAP 5.24345
45 1W4R TTP 6.15385
46 2BES RES 6.39535
47 1LYB IVA VAL VAL STA ALA STA 6.639
48 4RR7 A3S 7.35294
49 1P4C FMN 7.36842
50 1XTT U5P 7.40741
51 2WK1 SAH 7.44681
52 2GJN FMN 8.53659
53 2GJN NIS 8.53659
54 3M31 FAD 9.27835
55 2AMT GPP 9.43396
56 4BUY F37 10
57 1QPR PHT 10.2113
58 2B7N NTM 10.2564
59 5NWD 9C8 12.0419
60 2F01 BTN 12.5984
61 2F01 BTQ 12.5984
62 4YEE 4CQ 18.8889
63 1F8Y 5MD 19.7452
Pocket No.: 4; Query (leader) PDB : 5E9G; Ligand: GLV; Similar sites found with APoc: 25
This union binding pocket(no: 4) in the query (biounit: 5e9g.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3TLC 7MD 1.61725
2 2Z6J FMN 1.80723
3 2E5A LAQ 2.01729
4 1KBI PYR 2.54403
5 2I74 MAN MAN MAN MAN 2.6455
6 3V4S ATP 2.84238
7 6DVH FMN 3.29949
8 5W19 9TD 3.42612
9 3RJ5 NAD 3.54331
10 1US2 XYP XYP XYP XYP 4.15094
11 2MBR EPU 4.41176
12 2MBR FAD 4.41176
13 4J1Q NDP 4.74138
14 4R74 F6P 5.29595
15 4EWN 0VR 5.92885
16 1SIV PSI 6.06061
17 1PG4 COA 6.60714
18 1PG4 PRX 6.60714
19 2TPS TPS 6.60793
20 4X7Y SAH 6.93431
21 4HMX WUB 7.44186
22 2AE2 NAP 8.46154
23 4CQM NAP 8.60656
24 3TDH AMP 10.6145
25 4R57 ACO 13.6364
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