Receptor
PDB id Resolution Class Description Source Keywords
2JK0 2.5 Å EC: 3.5.1.1 STRUCTURAL AND FUNCTIONAL INSIGHTS INTO ERWINIA CAROTOVORA L-ASPARAGINASE PECTOBACTERIUM CAROTOVORUM ERWINIA HYDROLASE ENZYME THERAPY PROTEIN STABILITY LEUKETREATMENT
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO ERWINIA CAR L-ASPARAGINASE. FEBS J. V. 275 4306 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:1328;
B:1328;
C:1328;
D:1328;
E:1328;
F:1328;
G:1328;
H:1328;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JK0 2.5 Å EC: 3.5.1.1 STRUCTURAL AND FUNCTIONAL INSIGHTS INTO ERWINIA CAROTOVORA L-ASPARAGINASE PECTOBACTERIUM CAROTOVORUM ERWINIA HYDROLASE ENZYME THERAPY PROTEIN STABILITY LEUKETREATMENT
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO ERWINIA CAR L-ASPARAGINASE. FEBS J. V. 275 4306 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2JK0 - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1HG0 - SIN C4 H6 O4 O=C([O-])C....
2 1HFW - GLU C5 H9 N O4 C(CC(=O)O)....
3 5F52 - ASP C4 H7 N O4 C([C@@H](C....
4 5HW0 - GLU C5 H9 N O4 C(CC(=O)O)....
5 1HG1 - DAS C4 H7 N O4 C([C@H](C(....
6 2JK0 - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1HG0 - SIN C4 H6 O4 O=C([O-])C....
2 1HFW - GLU C5 H9 N O4 C(CC(=O)O)....
3 5F52 - ASP C4 H7 N O4 C([C@@H](C....
4 5HW0 - GLU C5 H9 N O4 C(CC(=O)O)....
5 1HG1 - DAS C4 H7 N O4 C([C@H](C(....
6 5K3O - ASP C4 H7 N O4 C([C@@H](C....
7 5K4H - GLU C5 H9 N O4 C(CC(=O)O)....
8 5K45 - GLU C5 H9 N O4 C(CC(=O)O)....
9 5K4G - ASP C4 H7 N O4 C([C@@H](C....
10 2WLT - ASP C4 H7 N O4 C([C@@H](C....
11 2WT4 - ASP C4 H7 N O4 C([C@@H](C....
12 2JK0 - ASP C4 H7 N O4 C([C@@H](C....
13 1HO3 - ASP C4 H7 N O4 C([C@@H](C....
14 3ECA - ASP C4 H7 N O4 C([C@@H](C....
15 1NNS - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JK0; Ligand: ASP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2jk0.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2JK0; Ligand: ASP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2jk0.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2JK0; Ligand: ASP; Similar sites found: 69
This union binding pocket(no: 3) in the query (biounit: 2jk0.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VY6 BGC BGC 0.0004637 0.44826 None
2 1GAD NAD 0.03037 0.4093 1.84615
3 3KRB NAP 0.03762 0.40649 1.84615
4 5WRI A3P 0.015 0.41836 1.875
5 5WRJ A3P 0.02053 0.40929 1.9802
6 5U61 7WG 0.03091 0.41232 2.07612
7 2UUU PL3 0.02095 0.44128 2.15385
8 5IXJ THR 0.01566 0.4266 2.46154
9 3LAD FAD 0.02759 0.42409 2.46154
10 5X8Q 82R 0.02366 0.4066 2.71318
11 3OIX FMN 0.02244 0.41085 3.07692
12 2GRU NAD 0.02394 0.40934 3.07692
13 1WUU ANP 0.02468 0.40703 3.07692
14 2NAD NAD 0.04484 0.40574 3.07692
15 2AOT SAH 0.01754 0.40719 3.08219
16 2PY4 DUP 0.0382 0.40515 3.38462
17 1KPH 10A 0.006464 0.43433 3.48432
18 2V3A FAD 0.03459 0.41418 3.69231
19 2PZM UDP 0.03844 0.42134 4
20 2PZM NAD 0.03844 0.42134 4
21 1PKX XMP 0.02145 0.40881 4
22 1ZUW DGL 0.003316 0.40025 4.04412
23 1LES GLC FRU 0.006612 0.40558 4.41989
24 1IZE IVA VAL VAL STA ALA STA 0.03171 0.40387 4.64396
25 3O2Q PRO THR SEP PRO SER TYR 0.01085 0.41892 4.6729
26 1QFY NAP 0.01087 0.44317 4.87013
27 1QFY FAD 0.01087 0.44317 4.87013
28 3B8I OXL 0.01123 0.40032 4.87805
29 4WZA ADP 0.04205 0.42614 4.92308
30 5HBN RPI 0.01439 0.4043 5.12821
31 5KY3 GFB 0.01884 0.41628 5.23077
32 1ZSQ PIB 0.02416 0.40392 5.23077
33 5XVK SAH 0.02295 0.40741 5.28169
34 3B9Q MLI 0.01195 0.40132 5.29801
35 5D6J ATP 0.01595 0.41503 5.40541
36 3Q9T FAY 0.04256 0.41257 5.53846
37 2VNO GAL GAL FUC 0.006869 0.41522 5.55556
38 3WYF GTP 0.02904 0.40897 6.15385
39 2GN3 MAN 0.002421 0.43159 6.34921
40 2GN3 MMA 0.002381 0.43137 6.34921
41 2PHX MAN MAN MAN MAN 0.00696 0.41792 6.34921
42 2GMM MAN MAN 0.005699 0.41677 6.34921
43 2GNM MAN 0.005786 0.41572 6.34921
44 2GNB MAN 0.003814 0.41333 6.34921
45 1Q8V MAN MAN MAN 0.008828 0.4125 6.34921
46 1Q8V MAN MAN 0.008107 0.40845 6.34921
47 1Q8P MAN MMA 0.01137 0.40695 6.34921
48 1UKG MMA 0.01165 0.40371 6.34921
49 2GND MAN 0.01034 0.40269 6.34921
50 5KJW 53C 0.005983 0.41656 6.76923
51 5FA8 SAM 0.02538 0.40765 6.8323
52 2PWY SAH 0.03703 0.40002 6.97674
53 3SQP FAD 0.04951 0.44725 7.07692
54 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.03739 0.42725 7.69231
55 2JDR L20 0.03739 0.42725 7.69231
56 4KP7 NAP 0.0365 0.42463 8
57 4N02 FNR 0.01594 0.41926 8
58 4KP7 1UQ 0.04171 0.41759 8
59 3WQQ IB3 0.04553 0.41147 8
60 1XVB BBX 0.006691 0.41122 8.30769
61 3JWH SAH 0.01237 0.41119 9.67742
62 3F81 STT 0.005818 0.4048 9.83607
63 4BV6 FAD 0.03191 0.41857 10.1538
64 4GLL NAD 0.04125 0.4054 10.1538
65 2ZL4 ALA ALA ALA ALA 0.006711 0.40227 13.2653
66 5F7N NAG GAL FUC FUC A2G 0.02615 0.40654 14.1667
67 2ZTS ADP 0.04795 0.41057 14.741
68 2NUO BGC 0.0009683 0.41592 18.0328
69 5DNC ASN 0.000000001609 0.65297 30.7692
Pocket No.: 4; Query (leader) PDB : 2JK0; Ligand: ASP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2jk0.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2JK0; Ligand: ASP; 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: 2jk0.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2JK0; Ligand: ASP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2jk0.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2JK0; Ligand: ASP; Similar sites found: 20
This union binding pocket(no: 7) in the query (biounit: 2jk0.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4REP FAD 0.008041 0.45347 1.84615
2 1EBF NAD 0.02373 0.41033 2.15385
3 5X20 NAD 0.03672 0.4014 2.5641
4 5F2K SAH 0.03891 0.40861 2.76923
5 5F2K OCA 0.03891 0.40861 2.76923
6 4GLW NMN 0.01462 0.4016 3.27869
7 1AE1 NAP 0.01313 0.43394 3.2967
8 4ZNO SUC 0.004499 0.42154 3.38462
9 5HRA DAS 0.01732 0.4014 3.40426
10 2Q1S NAI 0.0453 0.41458 4
11 5A3B APR 0.04365 0.40036 4.29043
12 4XDZ NDP 0.03584 0.40391 4.30769
13 5LJI FMN 0.01235 0.41326 4.72973
14 1X54 4AD 0.03028 0.4049 6.15385
15 5GT9 NAP 0.0118 0.43356 6.46388
16 2P3V SRT 0.01288 0.40215 6.64062
17 3R51 MMA 0.002423 0.41015 6.875
18 1T90 NAD 0.02738 0.41527 8.92308
19 2HYR BGC GLC 0.002005 0.42006 18.0328
20 2NU5 NAG 0.002769 0.41059 18.0328
Pocket No.: 8; Query (leader) PDB : 2JK0; Ligand: ASP; 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: 2jk0.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback