-->
Receptor
PDB id Resolution Class Description Source Keywords
5DNC 2.01 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE ASN-BOUND GUINEA PIG L-ASPARAGINASE CATALYTIC DOMAIN ACTIVE SITE MUTANT T19A CAVIA PORCELLUS ASPARAGINASE HYDROLASE
Ref.: EXPERIMENTAL DATA IN SUPPORT OF A DIRECT DISPLACEME MECHANISM FOR TYPE I/II L-ASPARAGINASES. J.BIOL.CHEM. V. 291 5088 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO C:602;
A:606;
B:603;
A:604;
B:605;
D:603;
B:602;
D:602;
C:604;
B:604;
A:603;
D:604;
D:605;
A:602;
C:603;
A:605;
C:605;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ASN B:601;
A:601;
C:601;
D:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
132.118 C4 H8 N2 O3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DNC 2.01 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE ASN-BOUND GUINEA PIG L-ASPARAGINASE CATALYTIC DOMAIN ACTIVE SITE MUTANT T19A CAVIA PORCELLUS ASPARAGINASE HYDROLASE
Ref.: EXPERIMENTAL DATA IN SUPPORT OF A DIRECT DISPLACEME MECHANISM FOR TYPE I/II L-ASPARAGINASES. J.BIOL.CHEM. V. 291 5088 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5DNC - ASN C4 H8 N2 O3 C([C@@H](C....
2 5DND - ASN C4 H8 N2 O3 C([C@@H](C....
3 5DNE - ASN C4 H8 N2 O3 C([C@@H](C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5DNC - ASN C4 H8 N2 O3 C([C@@H](C....
2 5DND - ASN C4 H8 N2 O3 C([C@@H](C....
3 5DNE - ASN C4 H8 N2 O3 C([C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5DNC - ASN C4 H8 N2 O3 C([C@@H](C....
2 5DND - ASN C4 H8 N2 O3 C([C@@H](C....
3 5DNE - ASN C4 H8 N2 O3 C([C@@H](C....
4 4R8L - ASP C4 H7 N O4 C([C@@H](C....
5 2HIM - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASN; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 ASN 1 1
2 ASP 0.636364 0.793103
3 DAS 0.636364 0.793103
4 DSN 0.545455 0.625
5 SER 0.545455 0.625
6 2RA 0.545455 0.65625
7 ABA 0.545455 0.6
8 DBB 0.545455 0.6
9 DCY 0.521739 0.612903
10 CYS 0.521739 0.612903
11 SD4 0.5 0.756757
12 GLN 0.481481 0.833333
13 DGN 0.481481 0.833333
14 HSE 0.48 0.666667
15 DAB 0.48 0.636364
16 CSO 0.461538 0.611111
17 API 0.461538 0.65625
18 AS2 0.461538 0.785714
19 DGL 0.428571 0.677419
20 GLU 0.428571 0.677419
21 HGY 0.428571 0.6
22 GGL 0.428571 0.677419
23 ONL 0.4 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5dnc.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DNC; Ligand: ASN; 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: 5dnc.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found with APoc: 118
This union binding pocket(no: 3) in the query (biounit: 5dnc.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZAH T5K 1.26263
2 4KRG SAH 1.28755
3 2XTZ GSP 1.41243
4 6BQC LOP 1.56658
5 2WHX ADP 1.70068
6 4DHY GLC 1.70576
7 2C6Q NDP 1.7094
8 2C6Q IMP 1.7094
9 6HKE LMR 1.88679
10 6F97 FAD 2.07156
11 1VB3 KPA 2.1028
12 1U3U BNF 2.13904
13 1U3U NAD 2.13904
14 5IFK HPA 2.24359
15 4ZS4 ATP 2.28013
16 1GQ2 OXL 2.34234
17 6F5W KG1 2.43902
18 1BZL FAD 2.46914
19 1VMK GUN 2.52708
20 5UY8 AMZ 2.55102
21 4AG5 ADP 2.55102
22 5Y2W PGA 2.5641
23 1FEC FAD 2.65306
24 6FDF SAH 2.69461
25 5WKC FAD 2.72109
26 5KJW 53C 2.8103
27 4Z24 FAD 2.89116
28 1DMH MCT 2.89389
29 2XTS MTE 3.07692
30 1I1N SAH 3.09735
31 1R37 NAD 3.17003
32 1QPB TPP 3.19716
33 6C2Z P1T 3.2
34 2VVL FAD 3.23232
35 4I3V NAD 3.27869
36 4CZG ADP 3.44828
37 3VY6 BGC BGC 3.5461
38 1WLE SRP 3.79242
39 2VVT I24 3.7931
40 5A04 BGC 3.83481
41 4IF4 BEF 3.84615
42 3DLS ADP 3.8806
43 1T90 NAD 3.90947
44 5HSA FAS 3.91156
45 2UUU FAD 4.10959
46 2UUU PL3 4.10959
47 3F3E LEU 4.23892
48 2WME NAP 4.28571
49 1V59 FAD 4.39331
50 3II1 BGC 4.48598
51 4KWI 1TJ 4.56274
52 4KWI NAP 4.56274
53 3VZ3 SSN 4.59519
54 6EWR PMP 4.68384
55 5GVR LMR 4.70085
56 2Q9U FMN 4.83092
57 4H2D FMN 4.84848
58 6CI9 NAP 5.40541
59 5AHW CMP 5.44218
60 5AHM IMP 5.75
61 2P53 NNG 5.75916
62 1QHG ATP 5.78231
63 5BVE 4VG 5.78231
64 6AMI TRP 5.80808
65 6AM8 PLT 5.80808
66 6AU6 GDP 5.83554
67 6CUZ FEV 5.92783
68 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 6.01852
69 3LL5 ADP 6.0241
70 1C3V PDC 6.12245
71 1LLU NAD 6.14035
72 4IMG NGF 6.14334
73 1JG3 ADN 6.38298
74 5GT9 NAP 6.46388
75 3LOO B4P 6.57534
76 1G8K MGD 6.76692
77 1M26 GAL A2G 6.76692
78 1AE1 NAP 6.95971
79 2GN3 MMA 7.53968
80 5FEU NAP 7.56014
81 5ME4 HP4 8.0292
82 1D6S MET PLP 8.07453
83 1D6S PLP MET 8.07453
84 5WS9 AMP 8.21053
85 5G5G FAD 8.29694
86 2J4K U5P 8.40708
87 5L3S GNP 8.44595
88 5FFF NAP 8.56031
89 1S7G APR 8.69565
90 1V7C HEY 9.11681
91 3W8X FTK 9.18803
92 3W8X FAD 9.18803
93 2IXB NAD 9.90991
94 4ZNO SUC 10.1493
95 1XG5 NAP 10.3943
96 5L3R GCP 10.5802
97 1RJ9 GCP 11.3333
98 5A89 FMN 11.5385
99 1CZR FMN 11.8343
100 2NU5 NAG 13.9344
101 2HYR BGC GLC 13.9344
102 2NUO BGC 13.9344
103 2GUC MAN 13.9344
104 2HYQ MAN MAN 13.9344
105 2GUD MAN 13.9344
106 1KPG 16A 14.2857
107 1KPH 10A 14.6341
108 2DYS PGV 20.339
109 5Z84 PGV 20.339
110 2DYR PGV 20.339
111 5ZCO PGV 20.339
112 5MQ5 ASP 28.012
113 2JK0 ASP 30.7692
114 5F52 ASP 30.7927
115 5K4G ASP 30.9091
116 2WLT ASP 31.6265
117 3RNM FAD 34.4828
118 5EIB GTP 47.3373
Pocket No.: 4; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5dnc.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found with APoc: 25
This union binding pocket(no: 5) in the query (biounit: 5dnc.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6FP4 FAD 1.36054
2 2Z48 NGA 1.62037
3 4QYS PLP SEP 1.80995
4 3LKF PC 2.00669
5 5B3A 0JO 2.05656
6 2C42 TPP 2.27457
7 2C42 PYR 2.27457
8 1JXN MFU 2.47934
9 1X7D NAD 2.57143
10 2JFQ DGL 2.7972
11 3ITJ CIT 2.95858
12 2VVM FAD 3.23232
13 3LAD FAD 3.57143
14 1ZUW DGL 3.67647
15 4EI7 GDP 3.85604
16 2X7I CIT 4.54545
17 4Y0X ADP 5.33333
18 3FRK TQP 5.63003
19 1VP5 NAP 6.04027
20 5CAE SIN 6.07029
21 2BCG GDP 6.79612
22 3AB3 GDP 6.90608
23 4ZOH MCN 7.14286
24 2IXB A2G 9.90991
25 4CS9 AMP 13.2275
Pocket No.: 6; Query (leader) PDB : 5DNC; Ligand: ASN; 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: 5dnc.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found with APoc: 67
This union binding pocket(no: 7) in the query (biounit: 5dnc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2GJP MAL 1.64948
2 3RSC TYD 1.68675
3 1ELU PDA 1.79487
4 6H3O FAD 1.87075
5 2BLE 5GP 1.87075
6 2P4S DIH 1.87668
7 1D1T NAD 1.87668
8 1H74 ILE 2.02703
9 2JLR ANP 2.21729
10 4YZN 4K5 2.38095
11 1OBB NAD 2.5
12 1GQY ACP 2.52632
13 4AUT FAD 2.55102
14 5ESO ISC 2.61324
15 5ESO TDP 2.61324
16 6G33 5ID 2.65487
17 1T9D FAD 2.72109
18 4R84 CSF 2.98211
19 5K8B PDG 3.22581
20 2GZ3 NAP 3.27869
21 3UOY NAP 3.30275
22 3UOY FAD 3.30275
23 2F2U M77 3.40136
24 4I4S LAT 3.42466
25 1XJD STU 3.47826
26 4IVN BMX 3.59712
27 4KRI SAH 3.69515
28 2VVT DGL 3.7931
29 3NUB UD0 3.89972
30 1Y3A GDP 3.95137
31 2ZUX RAM 4.2517
32 2WOX NDP 4.29448
33 3GC8 B45 4.32432
34 5GM1 SAH 4.3771
35 2OYS FMN 4.54545
36 1L7N ALF 4.73934
37 4ZLU ADP 4.9217
38 5O3Q CMP 5
39 3MB5 SAM 5.09804
40 5JFL NAD 5.10204
41 2Z7R STU 5.29595
42 2VAP GDP 5.49451
43 1NVM NAD 5.76923
44 1EZ0 NAP 5.88235
45 5GZZ GSH 5.9633
46 3PC3 P1T 6.26186
47 4C3Y FAD 6.41509
48 2WZF UDP 6.47619
49 4WVO 3UZ 6.62983
50 2GZM DGL 6.74157
51 1XXR MAN 6.8323
52 2GNB MAN 7.53968
53 3OA2 NAD 7.54717
54 4GLW NMN 8.52459
55 4IXH IMP 8.86427
56 5V8E CIT 9.06149
57 5Y6Q FAD 9.25926
58 5U23 TQP 10.733
59 1AG9 FMN 10.8571
60 5W6Y TRP 11.0759
61 5K9B FMN 11.1111
62 3F81 STT 12.0219
63 2ODE ALF GDP 12.0567
64 5TQZ GLC 14
65 3X44 PUS 15.9639
66 3VC3 C6P 17.7326
67 1W5F G2P 19.83
Pocket No.: 8; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found with APoc: 11
This union binding pocket(no: 8) in the query (biounit: 5dnc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3KA2 2NC 2.46305
2 1X7D ORN 2.57143
3 4JBL MET 2.65487
4 1F0X FAD 3.3275
5 4CZG QH3 3.44828
6 3CQL NDG 4.52675
7 4AKB GAL 6.01504
8 2AE2 PTO 7.30769
9 2AE2 NAP 7.30769
10 5A89 ADP 11.5385
11 4LNU GTP 47.3373
Pocket No.: 9; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found with APoc: 2
This union binding pocket(no: 9) in the query (biounit: 5dnc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6G34 5ID 2.2409
2 3A5Z KAA 5.75916
Pocket No.: 10; Query (leader) PDB : 5DNC; Ligand: ASN; Similar sites found with APoc: 4
This union binding pocket(no: 10) in the query (biounit: 5dnc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z0G 5GP 3.38983
2 1C0I BE2 5.50964
3 1C0I FAD 5.50964
4 2F5Z FAD 35.9375
APoc FAQ
Feedback