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Receptor
PDB id Resolution Class Description Source Keywords
4R8L 2.41 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF THE ASP-BOUND GUINEA PIG L-ASPARAGINASE CATALYTIC DOMAIN CAVIA PORCELLUS L-ASPARAGINASE HYDROLASE
Ref.: IDENTIFICATION AND STRUCTURAL ANALYSIS OF AN L-ASPA ENZYME FROM GUINEA PIG WITH PUTATIVE TUMOR CELL KIL PROPERTIES. J.BIOL.CHEM. V. 289 33175 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP C:700;
D:700;
A:700;
B:700;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R8L 2.41 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF THE ASP-BOUND GUINEA PIG L-ASPARAGINASE CATALYTIC DOMAIN CAVIA PORCELLUS L-ASPARAGINASE HYDROLASE
Ref.: IDENTIFICATION AND STRUCTURAL ANALYSIS OF AN L-ASPA ENZYME FROM GUINEA PIG WITH PUTATIVE TUMOR CELL KIL PROPERTIES. J.BIOL.CHEM. V. 289 33175 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4R8L - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4R8L - ASP C4 H7 N O4 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: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 DAS 1 1
2 ASP 1 1
3 ASN 0.636364 0.793103
4 DSN 0.545455 0.714286
5 ABA 0.545455 0.692308
6 2RA 0.545455 0.689655
7 SER 0.545455 0.714286
8 DBB 0.545455 0.692308
9 CYS 0.521739 0.703704
10 C2N 0.521739 0.666667
11 DCY 0.521739 0.703704
12 SD4 0.5 0.648649
13 GGL 0.481481 0.846154
14 DGL 0.481481 0.846154
15 GLU 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 NVA 0.461538 0.62069
19 HCS 0.461538 0.655172
20 CSO 0.461538 0.6875
21 AS2 0.461538 0.916667
22 LEU 0.461538 0.642857
23 API 0.461538 0.75
24 CSD 0.444444 0.615385
25 CSS 0.444444 0.633333
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 : 4R8L; Ligand: ASP; Similar sites found with APoc: 133
This union binding pocket(no: 1) in the query (biounit: 4r8l.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZAH T5K 1.2987
2 4DXD GDP 1.2987
3 2F2U M77 1.2987
4 1X7D NAD 1.42857
5 1X7D ORN 1.42857
6 2WME NAP 1.55844
7 5B3A 0JO 1.55844
8 6BQC LOP 1.56658
9 2Z48 NGA 1.81818
10 3RSC TYD 1.81818
11 2X7I CIT 1.94805
12 2ZXI FAD 2.07792
13 5HSA FAS 2.07792
14 1QZR ANP 2.07792
15 2DWU DGL 2.17391
16 5LI1 ANP 2.25989
17 3HAD NAD 2.27273
18 4ZS4 ATP 2.28013
19 1VB3 KPA 2.33766
20 6F5W KG1 2.43902
21 1VMK GUN 2.52708
22 1JA9 NDP 2.55474
23 5Y2W PGA 2.5641
24 5B19 TLA 2.58621
25 1R18 SAH 2.5974
26 2JLR ANP 2.5974
27 2WHX ADP 2.5974
28 1I1N SAH 2.65487
29 5G09 6DF 2.69151
30 4PIO SAH 2.78638
31 4PIO AVI 2.78638
32 5KJW 53C 2.8103
33 1L7N ALF 2.8436
34 1V7C HEY 2.849
35 6H3O FAD 2.85714
36 6G34 5ID 2.85714
37 4OUC 5ID 2.85714
38 1DQS NAD 2.85714
39 2BLE 5GP 2.85714
40 4YRI 4JH 2.85714
41 1DMH MCT 2.89389
42 3ITJ FAD 2.95858
43 2PEL LBT 2.9661
44 1P9P SAH 3.06513
45 1BZL FAD 3.11688
46 3FQ8 PMP 3.11688
47 4ZM4 PLP 3.11688
48 6C2Z P1T 3.2
49 4WXG 2BO 3.37662
50 1FEC FAD 3.37662
51 1GQ2 OXL 3.37662
52 1XJD STU 3.47826
53 3VY6 BGC BGC 3.5461
54 4QIJ 1HA 3.59281
55 4IVN BMX 3.59712
56 1GZ4 ATP 3.62976
57 1ZUW DGL 3.67647
58 5GT9 NAP 3.80228
59 3DLS ADP 3.8806
60 5K9B FMN 3.88889
61 3LKF PC 3.8961
62 3NUB UD0 3.89972
63 1VBO MAN 4.02685
64 1CX9 NHP 4.10448
65 5L3R GCP 4.15584
66 4KRI SAH 4.15584
67 5CDH TLA 4.16667
68 2PO3 T4K 4.24528
69 2DX7 CIT 4.38596
70 3B8X G4M 4.41558
71 5JFL NAD 4.41558
72 1RM6 PCD 4.67532
73 6EWR PMP 4.67532
74 3W8X FAD 4.70085
75 3W8X FTK 4.70085
76 5X9D 80F 4.93421
77 2JFZ 003 5.09804
78 2JFZ DGL 5.09804
79 3VC3 C6P 5.19481
80 4Y0X ADP 5.33333
81 1W5F G2P 5.38244
82 5IKB KAI 5.44747
83 2XTS MTE 5.45455
84 2Q9U FMN 5.45455
85 4ZLU ADP 5.71429
86 4OWK NGA 5.7971
87 6AM8 PLT 5.97403
88 5GVR LMR 5.98291
89 5CAE SIN 6.07029
90 1WVC CTP 6.17761
91 3II1 BGC 6.23377
92 1SFF IK2 6.23377
93 1RJ9 GCP 6.25
94 4IXH IMP 6.37119
95 1JG3 ADN 6.38298
96 2UUU FAD 6.49351
97 2C6Q NDP 6.55271
98 4WVO 3UZ 6.62983
99 2GZM DGL 6.74157
100 4Z0G 5GP 6.75325
101 4AKB GAL 6.76692
102 4NTC FAD 6.86567
103 3OA2 NAD 7.2327
104 1QHH ATP 7.32601
105 1M26 GAL A2G 7.5188
106 3DR4 G4M 7.53247
107 5L3S GNP 7.77027
108 1EZ0 NAP 7.79221
109 1D6S MET PLP 8.07453
110 1VQ2 DDN 8.29016
111 4IY7 KOU 8.31169
112 2GNB MAN 8.33333
113 5UXH GFB 8.44687
114 1JXN MFU 8.67769
115 3ZEI AWH 8.70968
116 2WC1 FMN 8.79121
117 1QHG ATP 8.83117
118 2P53 NNG 8.83117
119 2WZF BGC 8.83117
120 5AHW CMP 8.84354
121 2IXB A2G 9.61039
122 2IXB NAD 9.61039
123 5WS9 AMP 10.1299
124 4URF NAD 11.2903
125 4TYO 39X 12.1951
126 1KPG 16A 13.2404
127 1KPH 10A 13.5889
128 2NU5 NAG 13.9344
129 2GUC MAN 13.9344
130 2HYR BGC GLC 13.9344
131 2NUO BGC 13.9344
132 2HYQ MAN MAN 13.9344
133 5KY9 GDP 15
Pocket No.: 2; Query (leader) PDB : 4R8L; Ligand: ASP; Similar sites found with APoc: 42
This union binding pocket(no: 2) in the query (biounit: 4r8l.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1ELU PDA 1.81818
2 3ZNN 4WL 2.01729
3 3ZNN FAD 2.01729
4 4LH0 GLV 2.07792
5 5IUW IAC 2.5974
6 4POW OP1 2.64151
7 6FDF SAH 2.69461
8 2C42 PYR 2.85714
9 2C42 TPP 2.85714
10 6CI9 NAP 3.0888
11 5MY8 RXZ 3.13316
12 5OJI NAP 3.46154
13 5OJI ISN 3.46154
14 3WCZ NAP 3.57143
15 2VVT I24 3.7931
16 2AE2 PTO 3.84615
17 2AE2 NAP 3.84615
18 4ZUL UN1 4.15584
19 4CZG ADP 4.31034
20 4I3V NAD 4.67532
21 3HAZ NAD 4.67532
22 4H2D FMN 4.84848
23 1T90 NAD 4.93506
24 4IMG NGF 5.11945
25 6F97 FAD 5.45455
26 2BHZ MAL 5.45455
27 3VZ3 SSN 5.45455
28 3A5Z KAA 5.75916
29 4KU7 PCG 5.88235
30 6AMI TRP 5.97403
31 6CUZ FEV 5.97403
32 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 6.01852
33 3LL5 IPE 6.0241
34 3LL5 ADP 6.0241
35 3Q9T FAY 6.23377
36 2UUU PL3 6.49351
37 2C6Q IMP 6.55271
38 5ME4 HP4 8.0292
39 4CPB GAL CN8 8.26446
40 5FEU NAP 9.96564
41 3KRB NAP 10.1796
42 1CZR FMN 23.6686
Pocket No.: 3; Query (leader) PDB : 4R8L; Ligand: ASP; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 4r8l.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2XTZ GSP 1.41243
2 5C9P FUC 2.09974
3 5IFK HPA 2.24359
4 4B7X NAP 2.97619
5 1R37 NAD 3.17003
6 1AE1 NAP 3.663
7 4Z24 FAD 4.41558
8 4KWI NAP 4.56274
9 4KWI 1TJ 4.56274
10 3VZ3 NAP 5.45455
11 4K2M O1G 5.45455
12 5AHM IMP 5.97403
13 1C3V PDC 6.12245
14 5JAX 6J7 6.66667
15 3LZW FAD 6.92771
16 3L6C MLI 7.37463
17 1XG5 NAP 7.52688
18 5W6Y TRP 7.91139
19 2J4K U5P 7.9646
20 5BVE 4VG 9.41828
21 2DM6 NAP 9.90991
22 2DM6 IMN 9.90991
23 4ZNO SUC 10.1493
24 1RV0 NDG 13.75
25 2GUD MAN 13.9344
26 2ODE ALF GDP 14.8936
27 1AG9 FMN 15.4286
28 1OBV FMN 26.0355
Pocket No.: 4; Query (leader) PDB : 4R8L; Ligand: ASP; Similar sites found with APoc: 40
This union binding pocket(no: 4) in the query (biounit: 4r8l.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZY1 4U5 1.2987
2 2Q28 ADP 1.55844
3 5NTH BB2 1.81818
4 3IAA TYD 1.81818
5 5KF6 NAD 2.07792
6 4USR FAD 2.21607
7 1XHL NDP 2.6936
8 2JFQ DGL 2.7972
9 1BXG NAD 3.08989
10 2NAD NAD 3.11688
11 1LAN LEU 3.63636
12 2VVT DGL 3.7931
13 4EI7 GDP 3.85604
14 5UCD NAP 3.8961
15 2Q1W NAD 3.9039
16 3JWH SAH 4.14747
17 4CZG QH3 4.31034
18 4BUZ NAD 4.87805
19 4BUZ OCZ 4.87805
20 4BUZ OAD 4.87805
21 1EQ2 NAP 5.48387
22 2DVZ GLU 5.73248
23 6AM8 TRP 5.97403
24 5Z2L NDP 6.12245
25 1D1T NAD 6.16622
26 5NUF NAD 6.3253
27 4Z87 5GP 6.75325
28 3AB3 GDP 6.90608
29 6GAS FAD 6.94864
30 1PNO NAP 7.22222
31 4GLW NMN 8.85246
32 2QTR NXX 8.99471
33 4TQK NAG 9.09091
34 1S7G NAD 9.48617
35 1G8K MGD 10.5263
36 5FFF NAP 11.284
37 1WA5 GTP 11.3636
38 2BCG GDP 12.2078
39 4J56 FAD 18.4211
40 2DYS PGV 20.339
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