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Receptor
PDB id Resolution Class Description Source Keywords
3IHB 2.4 Å EC: 3.5.1.2 CRYSTAL STRUCTURE ANALYSIS OF MGLU IN ITS TRIS AND GLUTAMATE FORM MICROCOCCUS LUTEUS SALT-TOLERANT GLUTAMINASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF SALT-TOLERANT GLUTAMINASE FROM MICROCOCCUS LUTEUS K-3 IN THE PRESENCE AND ABSENCE OF ITS PRODUCT L-GLUTAMATE AND ITS ACTIVATOR TRIS FEBS J. V. 277 738 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
TRS A:600;
B:600;
Valid;
Valid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IHB 2.4 Å EC: 3.5.1.2 CRYSTAL STRUCTURE ANALYSIS OF MGLU IN ITS TRIS AND GLUTAMATE FORM MICROCOCCUS LUTEUS SALT-TOLERANT GLUTAMINASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF SALT-TOLERANT GLUTAMINASE FROM MICROCOCCUS LUTEUS K-3 IN THE PRESENCE AND ABSENCE OF ITS PRODUCT L-GLUTAMATE AND ITS ACTIVATOR TRIS FEBS J. V. 277 738 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3IHB - TRS C4 H12 N O3 C(C(CO)(CO....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3IHB - TRS C4 H12 N O3 C(C(CO)(CO....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3IHB - TRS C4 H12 N O3 C(C(CO)(CO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 DGN 0.62963 0.821429
5 GLN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 NPI 0.53125 0.923077
11 HGA 0.53125 0.666667
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 NVA 0.5 0.740741
17 API 0.5 0.884615
18 DAS 0.481481 0.846154
19 ASP 0.481481 0.846154
20 TNA 0.463415 0.685714
21 DBB 0.461538 0.692308
22 ABA 0.461538 0.692308
23 DSN 0.461538 0.655172
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 C2N 0.444444 0.666667
31 CYS 0.444444 0.642857
32 NLE 0.4375 0.689655
33 2HG 0.433333 0.653846
34 S2G 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 DLY 0.424242 0.666667
39 MED 0.424242 0.625
40 MET 0.424242 0.625
41 MSE 0.424242 0.606061
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 DHH 0.411765 0.851852
46 LYS 0.411765 0.645161
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 AS2 0.4 0.84
50 5OY 0.4 0.648649
51 ONH 0.4 0.611111
52 2JJ 0.4 0.648649
53 LEU 0.4 0.642857
Ligand no: 2; Ligand: TRS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TRS 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IHB; Ligand: GLU; Similar sites found with APoc: 114
This union binding pocket(no: 1) in the query (biounit: 3ihb.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2DDH HXD 1.53509
2 2DDH FAD 1.53509
3 5ZA2 NXL 1.9774
4 2C6Q NDP 1.9943
5 3E8N VRA 2.05279
6 3E8N ATP 2.05279
7 4LS7 1X9 2.11268
8 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 2.19298
9 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 2.19298
10 5X1M THG 2.19298
11 5X1M DHB 2.19298
12 4EMV 0R9 2.21239
13 4U0I 0LI 2.22222
14 1P19 IMP 2.26244
15 1DQS CRB 2.29008
16 1BZY IMU 2.30415
17 1SOW NAD 2.43902
18 1W7F ICT 2.60586
19 3PPM JG1 2.63158
20 5VEQ PMP 2.6764
21 5UXH GFB 2.7248
22 2YVJ NAI 2.75229
23 5AYV NAP 2.91262
24 3BBD SAH 2.92683
25 4PLG OXM 2.99401
26 4PLG NAI 2.99401
27 3FC4 EDO 3.07018
28 4K91 SIN 3.17919
29 3TTM PUT 3.17919
30 5X20 NAD 3.20513
31 2WGV CIT 3.22581
32 4GGL CJC 3.25581
33 5FUW QBT 3.2967
34 1PI5 SM2 3.35196
35 1T26 NAI 3.41615
36 1T26 GBD 3.41615
37 2A92 NAI 3.42679
38 2VBA P4T 3.44828
39 3HUN ZZ7 3.53201
40 1NLU IVA PHI TYB 3.78378
41 1NFS DED 3.82514
42 4M52 M52 3.94737
43 2HK9 NAP 4
44 1YQS BSA 4.01146
45 5QB1 F1C 4.11523
46 3NY4 SMX 4.15094
47 2ZD8 MER 4.15094
48 2AMV BIN 4.16667
49 1J49 NAD 4.2042
50 3BGD PM6 4.23077
51 5NE2 DGL 4.31655
52 5HWO HMG 4.52381
53 5UC4 83S 4.54545
54 4HY1 19X 4.61538
55 1YNH SUO 4.82456
56 4TXI FAD 4.82456
57 2EQA AMP 4.82955
58 1YFZ IMP 4.87805
59 3RYC GTP 4.8951
60 4YC0 5OF 5.02092
61 3Q2H QHF 5.05051
62 3LDW ZOL 5.05051
63 9LDT NAD 5.12048
64 4NG2 OHN 5.30973
65 6CEP NAD 5.38922
66 1ZVX FIN 5.52147
67 4LRZ ADP 5.6872
68 1PZO CBT 5.70342
69 1DIG NAP 5.88235
70 4Y8D 49J 5.88235
71 2JL1 NAP 5.92335
72 1VB3 KPA 6.07477
73 5B2E MQG 6.25
74 3TUR 6CL 6.27178
75 4BAE RWX 6.82927
76 4BJ8 BTN 7.14286
77 3DLS ADP 7.16418
78 2WYA HMG 7.17391
79 1XPK HMG 7.2165
80 4DDS 0J7 7.22433
81 6BT6 3GK 7.22433
82 4DE2 DN3 7.22433
83 4DE0 0JB 7.22433
84 4DDY DN6 7.22433
85 3G2Y GF4 7.22433
86 4UAA 3GK 7.22433
87 4UA7 3GK 7.22433
88 4DE3 DN8 7.22433
89 5UJ3 CE4 7.24138
90 6BU3 3GK 7.25191
91 4JF5 FLC 7.40741
92 5EOO CIT 7.45614
93 1U08 PLP 7.77202
94 5YAP NAI 7.89474
95 4YZN 4K5 8.7108
96 1I36 NAP 8.71212
97 4WZV E40 8.75
98 2FV5 541 8.81226
99 2ORV 4TA 8.97436
100 3PNL ADP 9.80392
101 2EFX NFA 10.1928
102 1W4R TTP 10.7692
103 3G5D 1N1 11.5385
104 4ZVI 4S4 11.6711
105 4LNU GTP 11.8343
106 5EYP GTP 11.8343
107 5EIB GTP 11.8343
108 4URL XAM 12.5616
109 1G42 CP2 13.1757
110 1MV8 NAD 13.3772
111 1MUU NAD 13.3772
112 5ITZ GTP 16.5354
113 3TTZ 07N 22.7273
114 4P8O 883 24.0642
Pocket No.: 2; Query (leader) PDB : 3IHB; Ligand: GLU; 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: 3ihb.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3IHB; Ligand: TRS; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 3ihb.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
1 5LLT DND 9.38967
Pocket No.: 4; Query (leader) PDB : 3IHB; Ligand: TRS; 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: 3ihb.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3IHB; Ligand: GLU; Similar sites found with APoc: 41
This union binding pocket(no: 5) in the query (biounit: 3ihb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1IDA 0PO None
2 4GPS CIT 1.41844
3 4B4U NAP 1.9802
4 1LTH NAD 2.82132
5 6D6L FY4 2.94118
6 5ESO TDP 2.96167
7 5ESO ISC 2.96167
8 1UKW FAD 3.16623
9 4KQR VPP 3.28947
10 2R2N PMP 3.28947
11 2IZ1 RES 3.28947
12 2R2N KYN 3.28947
13 3SXN COA 3.31754
14 1LWJ ACG 3.40136
15 3HAZ NAD 3.50877
16 5ABH YWN 3.72807
17 3SXS PP2 3.73134
18 1HFS L04 3.75
19 4UXH T5A 3.80435
20 4WVO 3UZ 3.8674
21 4RKC PMP 4.0201
22 2WQP WQP 4.29799
23 3N3T C2E 4.42177
24 5LNQ CAA 4.60526
25 1XAJ NAD 5.08475
26 4YCA NDP 5.10204
27 2Q8Z NUP 5.84795
28 1GTE FAD 5.92105
29 1PNO NAP 6.66667
30 1BAI 0Q4 7.25806
31 6BVI GNP 8.33333
32 6BVM GNP 8.33333
33 6D59 GNP 8.33333
34 6D56 GNP 8.33333
35 4UTG ANP 8.3815
36 3E2M E2M 10.2703
37 4RJD TFP 12.1212
38 3EFS BTN 13.3047
39 1OPK P16 13.8158
40 3H9R TAK 15.5963
41 1B4B ARG 21.1268
Pocket No.: 6; Query (leader) PDB : 3IHB; Ligand: GLU; 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: 3ihb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3IHB; Ligand: TRS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3ihb.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3IHB; Ligand: TRS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3ihb.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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