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Receptor
PDB id Resolution Class Description Source Keywords
3TY3 1.85 Å EC: 1.1.1.87 CRYSTAL STRUCTURE OF HOMOISOCITRATE DEHYDROGENASE FROM SCHIZOSACCHAROMYCES POMBE BOUND TO GLYCYL-GLYCYL-GLYCINE SCHIZOSACCHAROMYCES POMBE B-HYDROXYACID OXIDATIVE DECARBOXYLASE AMINO-ACID BIOSYNTHESLYSINE BIOSYNTHESIS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HOMOISOCITRATE DEHYDROGENASE F SCHIZOSACCHAROMYCES POMBE. PROTEINS V. 80 661 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GGG A:363;
B:363;
Valid;
Valid;
none;
none;
submit data
189.169 C6 H11 N3 O4 C(C(=...
GOL A:364;
A:3968;
A:3969;
B:364;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TY3 1.85 Å EC: 1.1.1.87 CRYSTAL STRUCTURE OF HOMOISOCITRATE DEHYDROGENASE FROM SCHIZOSACCHAROMYCES POMBE BOUND TO GLYCYL-GLYCYL-GLYCINE SCHIZOSACCHAROMYCES POMBE B-HYDROXYACID OXIDATIVE DECARBOXYLASE AMINO-ACID BIOSYNTHESLYSINE BIOSYNTHESIS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HOMOISOCITRATE DEHYDROGENASE F SCHIZOSACCHAROMYCES POMBE. PROTEINS V. 80 661 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3TY3 - GGG C6 H11 N3 O4 C(C(=O)NCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3TY3 - GGG C6 H11 N3 O4 C(C(=O)NCC....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4Y1P - IPM C7 H12 O5 CC(C)[C@@H....
2 1A05 - IPM C7 H12 O5 CC(C)[C@@H....
3 5J32 Kd = 8.3 uM IPM C7 H12 O5 CC(C)[C@@H....
4 3TY3 - GGG C6 H11 N3 O4 C(C(=O)NCC....
5 2Y42 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2Y41 - IPM C7 H12 O5 CC(C)[C@@H....
7 1HEX Ki = 614.6 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 5HN6 - IPM C7 H12 O5 CC(C)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GGG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GGG 1 1
2 4SQ 0.416667 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TY3; Ligand: GGG; Similar sites found with APoc: 164
This union binding pocket(no: 1) in the query (biounit: 3ty3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2OJW ADP 1.0929
2 4I54 1C1 1.13314
3 2Z49 AMG 1.36612
4 5WS9 AMP 1.63934
5 2H8Z 8CM 1.67131
6 3EWP APR 1.69492
7 1O9J NAD 1.91257
8 3NT6 FAD 1.91257
9 3NTA FAD 1.91257
10 3NTD FAD 1.9469
11 2Q4H AMP 1.9943
12 3DER ALA LYS 2.02899
13 4IV9 FAD 2.18579
14 4L2I FAD 2.28137
15 2C29 DQH 2.37389
16 2C29 NAP 2.37389
17 4R1S NAP 2.37389
18 5EZ7 FAD 2.45902
19 5KF6 NAD 2.45902
20 5N9X ATP 2.45902
21 4PXL NAD 2.45902
22 4PZ2 NAD 2.45902
23 1AL8 FMN 2.50696
24 1BDB NAD 2.52708
25 5T9E NAP 2.58303
26 3UOY NAP 2.73224
27 3UOY FAD 2.73224
28 5N5S NAP 2.73224
29 3AI8 HNQ 2.73438
30 2B1N LYS ALA SER VAL GLY 2.84553
31 2JEV NHQ 2.87356
32 4ZRN NAD 2.88462
33 2BJK NAD 2.90698
34 1Z08 GNP 2.94118
35 3X1Z GNP 2.99401
36 2CNT COA 3.125
37 4M69 ANP 3.18021
38 3C9U ADP 3.21637
39 3O84 HTJ 3.27869
40 4ZG4 VO4 ADP 3.27869
41 5JIC N7E 3.2967
42 5JIC ADP 3.2967
43 1P9P SAH 3.44828
44 2XOC ADP 3.44828
45 5TDF ADP 3.55191
46 3E9I XAH 3.55191
47 5T9F TYR 3.69004
48 4HDO GNP 3.72671
49 1GAR U89 3.77358
50 3LAD FAD 3.82514
51 4V3C C 3.82514
52 2ZFN ACO 3.82514
53 3Q9T FAY 3.82514
54 4FHD 0TT 3.82514
55 4FHD EEM 3.82514
56 5LAU AR6 3.84615
57 1E6W NAD 3.84615
58 5DEX 5E0 3.88693
59 6G96 ACO 3.97727
60 5O2D 9HH 4
61 4WOP CTP 4
62 3LL5 ADP 4.01606
63 3LL5 IPE 4.01606
64 6EMU SAM 4.06091
65 4KRI SAH 4.09836
66 4D5G FAD 4.09836
67 4D5G TPP 4.09836
68 2VVL FAD 4.09836
69 3LU1 NAD 4.12088
70 1TB3 FMN 4.26136
71 5BRT CH9 4.37158
72 6BSX E7S 4.49438
73 2QE0 NAP 4.64481
74 1EWJ BLM 4.7619
75 6B5G CQY 4.91803
76 6B5G NAD 4.91803
77 2D24 XYS XYS 4.91803
78 1SBR VIB 5
79 6MVU K4V 5.19126
80 5N1Q TP7 5.19126
81 4ZUL UN1 5.19126
82 3AB1 FAD 5.27778
83 5A8R TP7 5.28302
84 1GZ6 NAI 5.32915
85 4RT1 C2E 5.35714
86 4QYS PLP SEP 5.42986
87 5YB7 ORN 5.46448
88 5YB7 FAD 5.46448
89 1T90 NAD 5.46448
90 5W8Q BU4 5.46448
91 1I2B USQ 5.69307
92 1I2B UPG 5.69307
93 1I2B NAD 5.69307
94 2Q4W FAD 5.7377
95 4PTN PYR 5.8309
96 1PFY MSP 6.01093
97 5CB3 APR 6.01093
98 2II3 CAO 6.10687
99 1VA6 ADP 6.28415
100 1VA6 P2S 6.28415
101 6FA4 GNP 6.35838
102 1I0S NAP 6.50888
103 3UCL FAD 6.55738
104 3UCL CYH 6.55738
105 1RSG FAD 6.8306
106 5MBX SP5 6.8306
107 5MBX FAD 6.8306
108 1YY5 FAD 6.8306
109 1B7Y FYA 6.85714
110 3SBD GNP 6.95187
111 3VZ3 SSN 7.10383
112 3VZ3 NAP 7.10383
113 3FC4 EDO 7.37705
114 1ZBQ NAD 7.37705
115 5JFL NAD 7.37705
116 2X1L ADN 7.65027
117 2Z4T C5P 7.65027
118 6G9I CXX 7.7381
119 5BJX NAD 7.9235
120 2YVK MRU 7.9235
121 5OCG GNP 7.93651
122 5TUF TDC 8.46994
123 5TUF FAD 8.46994
124 1KJ8 ATP 8.46994
125 2IYA ZIO 8.74317
126 5HXI FAD 9.01639
127 5HXI 5HN 9.01639
128 4P86 5GP 9.28962
129 2VQD AP2 9.28962
130 4CME NAP 9.375
131 3JQG NAP 9.375
132 4CLO NAP 9.375
133 3JQ8 NAP 9.375
134 3BMN NAP 9.375
135 1RC0 KT5 9.56938
136 4H8N NDP 9.67742
137 1FFU CDP 9.7561
138 1FFU FAD 9.7561
139 4U03 TLL 10.3825
140 3HQP OXL 10.3825
141 5TWJ SAM 10.4938
142 1WDK NAD 10.929
143 3WV1 WHH 11.1111
144 1NF3 GNP 11.7188
145 1YZN GNP 12.4324
146 4UMX VVS 13.1148
147 4UMX NAP 13.1148
148 3A4V NAD 15.142
149 3A4V PYR 15.142
150 4O1M NAD 15.2381
151 3RFV NAI 15.3558
152 3RFV 15L 15.3558
153 2QFY AKG 15.5738
154 1KNM LAT 16.1538
155 1W7J ADP BEF 16.5563
156 6D5V GNP 18.5629
157 6D5H GNP 18.5629
158 6D5M GNP 18.5629
159 1N62 FAD 18.6747
160 5Z84 PEK 21.2766
161 2DYS PEK 21.2766
162 2DYR PEK 21.2766
163 4HCX NDP 21.3115
164 6ADI NDP 22.1311
Pocket No.: 2; Query (leader) PDB : 3TY3; Ligand: GGG; Similar sites found with APoc: 52
This union binding pocket(no: 2) in the query (biounit: 3ty3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1AQU A3P 1.0101
2 2Z48 A2G 1.36612
3 5XET ME8 1.63934
4 4GLL NAD 2.07715
5 3KJS NAP 2.18579
6 2QV6 GTP 2.23881
7 6GAR FAD 2.29226
8 6BMN PAP 2.37288
9 6GAS FAD 2.41692
10 4A1O JLN 2.45902
11 4IQY AR6 2.5
12 4P5E N6P 2.63158
13 5ZBC FAD 2.73224
14 4UZI IMD 3.00546
15 4MOB COA 3.01205
16 4B4D FAD 3.05344
17 1NHX PEP 3.27869
18 1NHX FTB 3.27869
19 3UZO GLU 3.35196
20 3UZO PLP 3.35196
21 5T9F NAP 3.69004
22 5M58 SAH 3.91304
23 5U98 1KX 4.0404
24 5MZY 8EZ 4.15094
25 4B0T ADP 5.19126
26 4XYM A12 5.21739
27 5ZYN FAD 5.7377
28 3BIY 01K 6.28415
29 4OE4 NAD 6.8306
30 5WDR GNP 7.01754
31 6GNC FAD 7.14286
32 1GUA GNP 7.40741
33 3QFA FAD 7.75862
34 3DDC GNP 9.03614
35 1IY8 NAD 13.1086
36 5FVJ ACO 16.8675
37 1M4I PAP 17.1271
38 1M4I KAN 17.1271
39 1M4I COA 17.1271
40 6D56 GNP 18.5629
41 6BVL GNP 18.5629
42 6D5E GNP 18.5629
43 6BVK GNP 18.5629
44 6D5L GNP 18.5629
45 6D5J GNP 18.5629
46 6BVM GNP 18.5629
47 6BVJ GNP 18.5629
48 6D59 GNP 18.5629
49 6BVI GNP 18.5629
50 6D55 GNP 18.5629
51 6D5G GNP 18.5629
52 1NVV GNP 18.6747
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