Receptor
PDB id Resolution Class Description Source Keywords
1QIT 1.9 Å EC: 2.6.1.1 ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI, C191W MUTA BOUND MALEATE ESCHERICHIA COLI AMINOTRANSFERASE TRANSFERASE(AMINOTRANSFERASE) PYRIDOXAL PMALEATE
Ref.: THE ROLE OF RESIDUES OUTSIDE THE ACTIVE SITE IN CAT STRUCTURAL BASIS FOR FUNCTION OF C191 MUTANTS OF E. ASPARTATE AMINOTRANSFERASE PROTEIN ENG. V. 13 105 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAE A:411;
Valid;
none;
submit data
116.072 C4 H4 O4 C(=C/...
PLP A:410;
Invalid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TOI 1.9 Å EC: 2.6.1.1 HYDROCINNAMIC ACID-BOUND STRUCTURE OF HEXAMUTANT + A293D MUT COLI ASPARTATE AMINOTRANSFERASE ESCHERICHIA COLI ASPARTATE AMINOTRANSFERASE HEXAMUTANT TRANSFERASE
Ref.: NARROWING SUBSTRATE SPECIFICITY IN A DIRECTLY EVOLV ENZYME: THE A293D MUTANT OF ASPARTATE AMINOTRANSFER BIOCHEMISTRY V. 43 12780 2004
Members (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
2 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
3 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
4 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
6 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
7 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
9 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
10 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
11 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
12 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
13 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
14 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
15 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
17 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
18 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
20 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
21 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
22 1AHG - TYR PLP n/a n/a
23 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
24 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
25 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
26 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
28 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
29 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
30 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
31 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
32 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
33 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
34 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
35 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
36 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 1ART - PLP 0A0 n/a n/a
38 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
39 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
40 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
41 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
42 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
43 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
44 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
45 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
46 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
47 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
2 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
3 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
4 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
6 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
7 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
9 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
10 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
11 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
12 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
13 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
14 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
15 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
17 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
18 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
20 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
21 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
22 1AHG - TYR PLP n/a n/a
23 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
24 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
25 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
26 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
28 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
29 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
30 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
31 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
32 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
33 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
34 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
35 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
36 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 1ART - PLP 0A0 n/a n/a
38 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
39 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
40 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
41 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
42 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
43 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
44 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
45 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
46 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
47 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (72)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AY8 Kd = 5.8 mM 4TB C8 H10 O2 S c1cc(sc1)C....
2 2AY4 Kd = 1.24 mM PPT C10 H12 O2 Cc1ccc(cc1....
3 2AY7 Kd = 5 mM CLT C10 H12 O2 c1ccc(cc1)....
4 2AY3 Kd = 0.28 mM MPP C11 H14 O4 COc1ccc(cc....
5 1AY8 - HCI C9 H10 O2 c1ccc(cc1)....
6 1AY5 - MAE C4 H4 O4 C(=C/C(=O)....
7 2AY9 Kd = 6.9 mM 5PV C11 H14 O2 c1ccc(cc1)....
8 2AY6 Kd = 0.78 mM 3IB C12 H13 N O2 c1ccc2c(c1....
9 2AY2 Kd = 13.1 mM CXP C9 H16 O2 C1CCC(CC1)....
10 2AY5 Kd = 2.6 mM IOP C11 H11 N O2 c1ccc2c(c1....
11 2AY1 Kd = 5.14 mM AHC C9 H11 N O2 c1cc(ccc1C....
12 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
13 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
14 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
15 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
17 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
18 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
20 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
21 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
22 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
23 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
24 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
25 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
26 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
28 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
29 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
30 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
31 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
32 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
33 1AHG - TYR PLP n/a n/a
34 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
35 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
36 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
38 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
39 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
40 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
41 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
42 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
43 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
44 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
45 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
46 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
47 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
48 1ART - PLP 0A0 n/a n/a
49 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
50 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
51 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
52 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
53 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
54 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
55 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
56 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
57 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
58 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
59 1MAP - KET C12 H16 N2 O9 P Cc1c(c(c(c....
60 1AKC - PPE C13 H20 N2 O9 P Cc1c(c(c(c....
61 1AMA - PLA C13 H19 N2 O9 P Cc1c(c(c(c....
62 1AKB - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
63 1IVR - CBA C12 H17 N2 O11 P Cc1c(c(c(c....
64 1AKA - PLP C8 H10 N O6 P Cc1c(c(c(c....
65 1MAQ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
66 9AAT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
67 1OXP - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
68 1OXO - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
69 4RKC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70 2CST - MAE C4 H4 O4 C(=C/C(=O)....
71 1YAA - MAE C4 H4 O4 C(=C/C(=O)....
72 6DND - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAE; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MAE 1 1
2 FUM 1 1
3 CCU 0.5625 1
4 GLV 0.5 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: MAE; Similar ligands found: 826
No: Ligand Similarity coefficient
1 HX2 1.0000
2 PAC 1.0000
3 SIN 1.0000
4 4MV 0.9952
5 H95 0.9909
6 SHF 0.9895
7 NMG 0.9861
8 OKG 0.9721
9 MLI 0.9706
10 KIV 0.9693
11 4JU 0.9669
12 AKB 0.9665
13 OK7 0.9660
14 URP 0.9654
15 MLA 0.9638
16 ASP 0.9637
17 MLT 0.9635
18 ALO 0.9622
19 MAK 0.9615
20 CIZ 0.9612
21 PRO 0.9608
22 ASN 0.9605
23 VAL 0.9600
24 LMR 0.9597
25 GUA 0.9596
26 CP 0.9594
27 OAA 0.9594
28 SSN 0.9594
29 2MH 0.9585
30 THR 0.9580
31 DAS 0.9577
32 TEO 0.9572
33 HSE 0.9571
34 VKC 0.9567
35 MRY 0.9560
36 ITN 0.9552
37 PAE 0.9552
38 LEA 0.9548
39 ABU 0.9546
40 CRN 0.9538
41 IVA 0.9526
42 69O 0.9518
43 49F 0.9499
44 PLQ 0.9492
45 LEU 0.9489
46 ILE 0.9488
47 CMS 0.9488
48 3PY 0.9486
49 P2D 0.9476
50 0VT 0.9476
51 1KA 0.9476
52 9X7 0.9474
53 3HR 0.9470
54 AMC 0.9468
55 DMG 0.9459
56 9YL 0.9458
57 6NA 0.9457
58 DSN 0.9454
59 X1S 0.9450
60 2RH 0.9449
61 HTX 0.9447
62 XYL 0.9446
63 RB5 0.9446
64 RB0 0.9446
65 JYD 0.9442
66 NXA 0.9442
67 PGA 0.9441
68 TFB 0.9441
69 C21 0.9439
70 PG3 0.9437
71 AAE 0.9436
72 DBB 0.9435
73 PYC 0.9433
74 MLM 0.9431
75 1DU 0.9430
76 265 0.9421
77 40E 0.9419
78 HBA 0.9419
79 HDA 0.9419
80 98J 0.9416
81 IOM 0.9416
82 UGC 0.9415
83 IHG 0.9414
84 FLA 0.9412
85 ROR 0.9409
86 2KT 0.9403
87 TLA 0.9402
88 2RA 0.9401
89 SER 0.9399
90 BML 0.9397
91 FOA 0.9397
92 JZ5 0.9395
93 FBA 0.9391
94 IPU 0.9391
95 3PP 0.9390
96 EHM 0.9389
97 SPA 0.9389
98 2PC 0.9387
99 HCS 0.9385
100 DXX 0.9383
101 192 0.9383
102 HZP 0.9380
103 1DQ 0.9373
104 9X6 0.9370
105 TB6 0.9369
106 COI 0.9369
107 HQE 0.9368
108 FPN 0.9361
109 YCP 0.9360
110 CHT 0.9358
111 THE 0.9357
112 BEN 0.9355
113 DPR 0.9354
114 273 0.9354
115 4VP 0.9353
116 FBJ 0.9352
117 NIO 0.9347
118 G3P 0.9346
119 ACH 0.9346
120 PHB 0.9343
121 T2C 0.9341
122 GG6 0.9340
123 DAB 0.9338
124 BEZ 0.9337
125 IDM 0.9333
126 PCR 0.9333
127 GLL 0.9332
128 6PC 0.9330
129 DEN 0.9329
130 JZ7 0.9327
131 BP9 0.9327
132 PXY 0.9321
133 A3B 0.9320
134 J1Z 0.9317
135 TAR 0.9315
136 DYA 0.9315
137 UYA 0.9313
138 JBN 0.9312
139 CYS 0.9312
140 FQI 0.9311
141 3HL 0.9311
142 1PT 0.9310
143 TZC 0.9309
144 54D 0.9308
145 KG7 0.9307
146 ODV 0.9307
147 DE2 0.9305
148 C2N 0.9304
149 S0H 0.9303
150 A8C 0.9300
151 VAH 0.9299
152 DGY 0.9299
153 03W 0.9299
154 QDK 0.9298
155 NCA 0.9295
156 5AC 0.9294
157 BAM 0.9294
158 NVA 0.9293
159 ABV 0.9293
160 DA1 0.9289
161 NPO 0.9289
162 MUC 0.9288
163 PZA 0.9288
164 JZ9 0.9287
165 BAE 0.9287
166 FW5 0.9284
167 SS2 0.9283
168 NTN 0.9283
169 IND 0.9279
170 C5J 0.9279
171 M6W 0.9277
172 QSC 0.9277
173 PEP 0.9276
174 LG4 0.9276
175 AL0 0.9275
176 SRT 0.9275
177 GLY GLY 0.9274
178 SMV 0.9274
179 HIU 0.9273
180 HSM 0.9273
181 UNU 0.9273
182 FPI 0.9271
183 PBC 0.9270
184 MPD 0.9270
185 BZI 0.9269
186 PCA 0.9262
187 NBZ 0.9262
188 60P 0.9261
189 LZ1 0.9259
190 PRS 0.9259
191 TIU 0.9257
192 MEQ 0.9255
193 LER 0.9254
194 23W 0.9252
195 PUT 0.9252
196 VGL 0.9247
197 XM0 0.9247
198 TP5 0.9246
199 MPI 0.9246
200 XRG 0.9245
201 ABN 0.9244
202 4JL 0.9244
203 ABA 0.9243
204 AC5 0.9243
205 0R1 0.9242
206 PPR 0.9241
207 HUI 0.9240
208 HIO 0.9239
209 25R 0.9239
210 HYP 0.9238
211 AX7 0.9238
212 SMB 0.9237
213 XBT 0.9235
214 SS1 0.9235
215 ZBT 0.9235
216 TZL 0.9235
217 6JN 0.9234
218 4CH 0.9233
219 BZF 0.9233
220 RSO 0.9232
221 SD4 0.9232
222 UY7 0.9230
223 14O 0.9230
224 4JP 0.9227
225 BNS 0.9227
226 AC0 0.9227
227 SPV 0.9227
228 3SL 0.9226
229 GVH 0.9226
230 GLU 0.9225
231 5FX 0.9224
232 5H1 0.9222
233 AC6 0.9221
234 XUL 0.9221
235 RBL 0.9218
236 3S5 0.9218
237 C2B 0.9217
238 APY 0.9217
239 HY1 0.9216
240 270 0.9215
241 7VD 0.9214
242 DTL 0.9214
243 2MI 0.9214
244 F60 0.9213
245 BE7 0.9212
246 1AC 0.9212
247 AHB 0.9209
248 SYN 0.9206
249 13P 0.9204
250 2K4 0.9202
251 JAE 0.9202
252 BTL 0.9202
253 HYA 0.9200
254 7A8 0.9197
255 4HA 0.9195
256 PAB 0.9195
257 FJO 0.9195
258 2HE 0.9193
259 BZX 0.9186
260 XAP 0.9186
261 PCT 0.9185
262 POA 0.9185
263 0CT 0.9184
264 KPL 0.9182
265 PZI 0.9182
266 PGH 0.9179
267 PE9 0.9179
268 HY3 0.9179
269 HBX 0.9178
270 SAT 0.9177
271 4HS 0.9176
272 5MI 0.9175
273 A20 0.9175
274 IQ0 0.9174
275 PPV 0.9170
276 XPO 0.9170
277 PAH 0.9168
278 O7U 0.9167
279 R9M 0.9164
280 WTZ 0.9163
281 1SP 0.9163
282 FSG 0.9163
283 6AI 0.9163
284 1GP 0.9162
285 9TY 0.9161
286 1Y6 0.9160
287 TH7 0.9158
288 IZC 0.9157
289 HPY 0.9157
290 PAF 0.9156
291 PZM 0.9154
292 PHU 0.9154
293 PBZ 0.9153
294 MRZ 0.9151
295 PY7 0.9148
296 0V5 0.9147
297 PYF 0.9147
298 P92 0.9147
299 DCY 0.9146
300 DTU 0.9145
301 1MR 0.9145
302 FPY 0.9145
303 P72 0.9145
304 HE2 0.9144
305 HSO 0.9143
306 826 0.9142
307 HBD 0.9142
308 5MB 0.9142
309 K34 0.9140
310 XYP 0.9140
311 GBD 0.9139
312 NIZ 0.9138
313 QY9 0.9136
314 2CK 0.9136
315 39J 0.9135
316 23B 0.9134
317 282 0.9134
318 ORN 0.9131
319 1SH 0.9130
320 DMV 0.9130
321 QFH 0.9129
322 SKG 0.9129
323 ETX 0.9128
324 MZW 0.9128
325 OPE 0.9127
326 OXQ 0.9127
327 JKE 0.9123
328 4JN 0.9123
329 7N0 0.9123
330 G3H 0.9122
331 JAB 0.9121
332 DGL 0.9120
333 PRI 0.9118
334 SAL 0.9118
335 ICF 0.9115
336 4MA 0.9115
337 TAU 0.9114
338 H8N 0.9114
339 11S 0.9113
340 14J 0.9112
341 HV2 0.9112
342 EDG 0.9111
343 Z82 0.9111
344 ISZ 0.9111
345 NBE 0.9110
346 SW7 0.9110
347 25T 0.9110
348 BHO 0.9109
349 NLE 0.9109
350 NBN 0.9109
351 BUB 0.9109
352 7WG 0.9107
353 GZ3 0.9105
354 M58 0.9105
355 CEJ 0.9105
356 FCN 0.9104
357 XLS 0.9104
358 1MC 0.9102
359 DUC 0.9101
360 GAG 0.9100
361 2CO 0.9099
362 4XR 0.9098
363 ITU 0.9097
364 1AB 0.9097
365 ETM 0.9095
366 CYH 0.9093
367 I2M 0.9092
368 4JM 0.9091
369 CXL 0.9087
370 QUZ 0.9087
371 URQ 0.9086
372 AKG 0.9086
373 IT2 0.9084
374 DE5 0.9084
375 FAN 0.9082
376 2IM 0.9081
377 BAL 0.9081
378 3U4 0.9081
379 URF 0.9080
380 TH0 0.9079
381 KOJ 0.9079
382 9CL 0.9077
383 NPY 0.9075
384 ES9 0.9075
385 H4N 0.9074
386 M4T 0.9074
387 B24 0.9073
388 HMU 0.9072
389 IXW 0.9070
390 BUA 0.9069
391 MCT 0.9067
392 LDU 0.9066
393 BE2 0.9066
394 HMH 0.9066
395 2YU 0.9066
396 MZ0 0.9065
397 ES6 0.9064
398 TM7 0.9063
399 NK 0.9061
400 ECE 0.9060
401 IPH 0.9060
402 174 0.9059
403 R2B 0.9059
404 AG2 0.9058
405 FK1 0.9056
406 1DH 0.9056
407 4SV 0.9055
408 PG0 0.9054
409 R67 0.9054
410 FEH 0.9053
411 CFI 0.9051
412 ISU 0.9050
413 HT4 0.9050
414 8NY 0.9049
415 FYU 0.9049
416 PEQ 0.9049
417 PMB 0.9048
418 GLY ALA 0.9048
419 275 0.9047
420 717 0.9047
421 8EZ 0.9046
422 CYX 0.9045
423 POP 0.9040
424 HAI 0.9040
425 4HO 0.9039
426 TDR 0.9036
427 FBM 0.9035
428 173 0.9034
429 BXO 0.9034
430 FB2 0.9033
431 1DV 0.9032
432 V1L 0.9032
433 LNO 0.9030
434 RSF 0.9030
435 IOL 0.9029
436 F9P 0.9029
437 R1X 0.9029
438 BUQ 0.9027
439 MWM 0.9026
440 284 0.9026
441 LXC 0.9024
442 GLN 0.9023
443 2HG 0.9022
444 AHR 0.9022
445 8EW 0.9021
446 COM 0.9021
447 CXF 0.9020
448 PYJ 0.9019
449 HYN 0.9016
450 GGL 0.9016
451 WBU 0.9014
452 EFS 0.9013
453 XBZ 0.9011
454 4ZE 0.9009
455 BVC 0.9009
456 6M4 0.9007
457 34A 0.9007
458 GOL 0.9006
459 2MP 0.9003
460 2AS 0.9002
461 IMR 0.9001
462 P7I 0.9000
463 NVI 0.8999
464 L3Q 0.8999
465 5NU 0.8998
466 A2Q 0.8997
467 280 0.8996
468 SNE 0.8994
469 2AC 0.8991
470 8X3 0.8990
471 XYD 0.8990
472 BMD 0.8988
473 URA 0.8987
474 TPA 0.8987
475 9J3 0.8987
476 4CS 0.8986
477 5JC 0.8984
478 VNJ 0.8983
479 3SK 0.8982
480 ONL 0.8981
481 MET 0.8979
482 CSS 0.8978
483 BHH 0.8978
484 GPF 0.8977
485 NF3 0.8977
486 RCO 0.8977
487 PYD 0.8976
488 ACA 0.8975
489 3V4 0.8973
490 ET2 0.8973
491 1SA 0.8972
492 QOS 0.8972
493 5UC 0.8971
494 DCL 0.8970
495 HIS 0.8969
496 4JT 0.8969
497 BU4 0.8968
498 ICC 0.8966
499 IFM 0.8964
500 BVG 0.8964
501 34V 0.8963
502 F05 0.8963
503 3NT 0.8963
504 1DJ 0.8962
505 6M9 0.8962
506 VX 0.8962
507 PPF 0.8960
508 SGL 0.8959
509 24T 0.8959
510 SAR 0.8958
511 RUU 0.8958
512 43M 0.8957
513 5CU 0.8957
514 5MH 0.8954
515 K6H 0.8953
516 JZ3 0.8953
517 3OC 0.8951
518 24B 0.8949
519 OHG 0.8948
520 PIS 0.8943
521 M45 0.8943
522 CRS 0.8941
523 3HB 0.8941
524 1WD 0.8941
525 3ZQ 0.8940
526 2HA 0.8938
527 MZG 0.8938
528 GXE 0.8937
529 9EW 0.8937
530 RNS 0.8937
531 LLQ 0.8937
532 0RW 0.8936
533 DS0 0.8935
534 DOB 0.8934
535 ZZT 0.8934
536 36R 0.8934
537 M1A 0.8933
538 3OH 0.8931
539 ICP 0.8930
540 OXZ 0.8928
541 4SD 0.8928
542 7WV 0.8927
543 7EX 0.8926
544 HLR 0.8926
545 OGA 0.8925
546 4CL 0.8924
547 GAB 0.8923
548 VGD 0.8922
549 4NC 0.8922
550 AOA 0.8922
551 HGQ 0.8920
552 NOY 0.8919
553 2EZ 0.8917
554 CLW 0.8917
555 5WV 0.8916
556 FBB 0.8916
557 4JJ 0.8916
558 ADE 0.8915
559 MBN 0.8914
560 8GC 0.8914
561 271 0.8914
562 TZE 0.8914
563 HVQ 0.8914
564 A1U 0.8913
565 5HN 0.8913
566 XX2 0.8913
567 3AP 0.8913
568 K2T 0.8911
569 RMN 0.8907
570 4M0 0.8906
571 5VM 0.8905
572 2PN 0.8904
573 JZ2 0.8904
574 67N 0.8902
575 IP0 0.8901
576 9PO 0.8901
577 Y8I 0.8900
578 FA0 0.8899
579 XIX 0.8897
580 2AP 0.8897
581 HRZ 0.8897
582 TFS 0.8896
583 3CH 0.8896
584 8H8 0.8896
585 BZ3 0.8893
586 4AP 0.8893
587 MTG 0.8892
588 3ID 0.8892
589 FUL 0.8891
590 MED 0.8890
591 PEL 0.8889
592 WOT 0.8889
593 ES7 0.8888
594 03V 0.8888
595 PKU 0.8887
596 I1E 0.8887
597 COU 0.8886
598 MSE 0.8885
599 KMT 0.8884
600 6HQ 0.8884
601 5OB 0.8883
602 TLD 0.8882
603 EGD 0.8881
604 SVN 0.8878
605 KKN 0.8877
606 H42 0.8877
607 2AQ 0.8877
608 MDN 0.8877
609 MEU 0.8877
610 GJZ 0.8876
611 1P8 0.8876
612 L60 0.8875
613 LG3 0.8875
614 IFL 0.8875
615 CYT 0.8875
616 ISN 0.8874
617 51F 0.8874
618 ES2 0.8872
619 HVK 0.8872
620 DTT 0.8871
621 TNE 0.8870
622 93B 0.8869
623 PTO 0.8869
624 3AB 0.8868
625 PEA 0.8867
626 MNN 0.8867
627 AT3 0.8866
628 0TR 0.8864
629 BHA 0.8864
630 RHU 0.8863
631 NOJ 0.8863
632 IDH 0.8862
633 FCR 0.8861
634 DMD 0.8861
635 JB5 0.8858
636 MXN 0.8856
637 40O 0.8856
638 RP7 0.8855
639 4JO 0.8854
640 SC2 0.8852
641 HX3 0.8850
642 IUR 0.8850
643 SME 0.8849
644 53C 0.8849
645 AAS 0.8848
646 ES5 0.8848
647 3GR 0.8847
648 BVF 0.8844
649 OVV 0.8843
650 OCH 0.8843
651 RIP 0.8843
652 DHB 0.8842
653 OEM 0.8841
654 MWJ 0.8838
655 4FA 0.8838
656 1P3 0.8836
657 4FS 0.8836
658 26D 0.8836
659 NSP 0.8835
660 LGA 0.8825
661 7W4 0.8822
662 HDH 0.8822
663 BR9 0.8821
664 8K2 0.8818
665 PBA 0.8814
666 LG5 0.8813
667 27Y 0.8813
668 TMZ 0.8813
669 URS 0.8811
670 E60 0.8810
671 DPF 0.8809
672 3BZ 0.8807
673 9SB 0.8806
674 ARB 0.8806
675 P9P 0.8805
676 XQ0 0.8805
677 MYJ 0.8803
678 4P5 0.8801
679 10L 0.8799
680 278 0.8798
681 WCE 0.8797
682 FBV 0.8796
683 SMN 0.8790
684 DFU 0.8790
685 INO 0.8790
686 2TQ 0.8789
687 NNO 0.8788
688 OSE 0.8787
689 8CL 0.8787
690 3BB 0.8786
691 4XX 0.8785
692 QSB 0.8783
693 9TW 0.8783
694 8GF 0.8781
695 3PG 0.8780
696 0MK 0.8779
697 TSU 0.8777
698 XYS 0.8777
699 286 0.8776
700 YRL 0.8775
701 MR1 0.8775
702 MMU 0.8772
703 3YP 0.8767
704 E5X 0.8767
705 CHB 0.8766
706 MYQ 0.8765
707 FUC 0.8765
708 JZ1 0.8765
709 2HO 0.8764
710 GLC 0.8762
711 4A3 0.8761
712 SYG 0.8760
713 JLZ 0.8757
714 6MP 0.8754
715 FHB 0.8752
716 TTO 0.8751
717 RBJ 0.8749
718 CAQ 0.8748
719 RIB 0.8748
720 XIY 0.8747
721 PM6 0.8747
722 HHN 0.8747
723 93K 0.8745
724 CEE 0.8742
725 2BG 0.8739
726 JBE 0.8739
727 PBE 0.8737
728 ARA 0.8737
729 1LQ 0.8736
730 H3M 0.8732
731 8OZ 0.8728
732 B3R 0.8727
733 HPA 0.8727
734 PNZ 0.8727
735 AEF 0.8727
736 TIH 0.8726
737 ES4 0.8726
738 3Q7 0.8723
739 SKJ 0.8723
740 IHB 0.8722
741 1DW 0.8722
742 0R0 0.8721
743 449 0.8720
744 MTD 0.8720
745 PAV 0.8719
746 7WA 0.8719
747 TMT 0.8717
748 SAN 0.8716
749 3HM 0.8716
750 7CZ 0.8712
751 SEP 0.8712
752 DHR 0.8711
753 23A 0.8708
754 HH5 0.8707
755 GOJ 0.8704
756 BRT 0.8702
757 AZF 0.8702
758 1M2 0.8701
759 7HP 0.8701
760 BP1 0.8699
761 MLE 0.8698
762 1AN 0.8697
763 4H2 0.8697
764 SVJ 0.8695
765 SEJ 0.8695
766 NMJ 0.8694
767 A09 0.8693
768 24W 0.8691
769 QWN 0.8689
770 BPN 0.8689
771 YHO 0.8687
772 FUB 0.8685
773 PYG 0.8685
774 ES0 0.8682
775 GXV 0.8682
776 0OC 0.8679
777 Q88 0.8678
778 FMS 0.8677
779 CIG 0.8676
780 ICN 0.8676
781 SYV 0.8676
782 CWM 0.8676
783 285 0.8673
784 1LN 0.8672
785 1SQ 0.8670
786 64K 0.8667
787 HEW 0.8664
788 M3T 0.8661
789 4NM 0.8660
790 DQY 0.8659
791 Z6J 0.8658
792 SWD 0.8657
793 DFB 0.8656
794 J9T 0.8653
795 FP2 0.8653
796 4XH 0.8651
797 FAC 0.8647
798 4BZ 0.8643
799 OXL 0.8635
800 1CB 0.8634
801 FBS 0.8633
802 TAY 0.8632
803 C2A 0.8632
804 ABE 0.8630
805 TMH 0.8630
806 OXE 0.8630
807 5HY 0.8629
808 7MU 0.8626
809 HHQ 0.8622
810 ANN 0.8617
811 51R 0.8616
812 5RG 0.8612
813 92Z 0.8611
814 GTQ 0.8609
815 FB1 0.8609
816 DMJ 0.8582
817 D2P 0.8578
818 4J8 0.8578
819 3MC 0.8572
820 BEW 0.8572
821 ATQ 0.8571
822 3XX 0.8561
823 H76 0.8549
824 2AF 0.8549
825 FLM 0.8537
826 2XX 0.8534
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TOI; Ligand: HCI; 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: 1toi.bio1) has 75 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TOI; Ligand: HCI; 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: 1toi.bio1) has 75 residues
No: Leader PDB Ligand Sequence Similarity
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