Receptor
PDB id Resolution Class Description Source Keywords
1TUG 2.1 Å EC: 2.1.3.2 ASPARTATE TRANSCARBAMOYLASE CATALYTIC CHAIN MUTANT E50A COMPLEX WITH PHOSPHONOACETAMIDE, MALONATE, AND CYTIDINE-5- P RIME-TRIPHOSPHATE (CTP) ESCHERICHIA COLI PROTEIN STRUCTURE-FUNCTION SITE SPECIFIC MUTAGENESIS DOMAIN CLOSURE ALLOSTERIC TRANSITION HYDROLASE/HYDROLASE REGULATOR COMPLEX
Ref.: MONITORING THE TRANSITION FROM THE T TO THE R STATE IN E.COLI ASPARTATE TRANSCARBAMOYLASE BY X-RAY CRYSTALLOGRAPHY: CRYSTAL STRUCTURES OF THE E50A MUTANT ENZYME IN FOUR DISTINCT ALLOSTERIC STATES. J.MOL.BIOL. V. 341 853 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CTP B:1156;
D:1157;
 Valid;
Valid;
 none;
none;
 submit data
483.156 C9 H16 N3 O14 P3 C1=CN...
MLI A:1312;
C:1311;
 Valid;
Valid;
 none;
none;
 submit data
102.046 C3 H2 O4 C(C(=...
PCT A:1314;
C:1313;
 Valid;
Valid;
 none;
none;
 submit data
139.047 C2 H6 N O4 P C(C(=...
ZN B:154;
D:155;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D09 2.1 Å EC: 2.1.3.2 ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL- ASPARTATE (PALA) ESCHERICHIA COLI PROTEIN-INHIBITOR COMPLEX ASPARTATE TRANSCARBAMOYLASE ASPARTTRANSCARBAMYLASE TRANSFERASE
Ref.: INSIGHTS INTO THE MECHANISMS OF CATALYSIS AND HETER REGULATION OF ESCHERICHIA COLI ASPARTATE TRANSCARBA BASED UPON A STRUCTURE OF THE ENZYME COMPLEXED WITH BISUBSTRATE ANALOGUE N-PHOSPHONACETYL-L-ASPARTATE A PROTEINS V. 37 729
Members (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4KGX - PAL C6 H10 N O8 P C([C@@H](C....
2 1R0C - NCD C5 H8 N2 O5 C([C@@H](C....
3 4F04 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
4 1RAG - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
5 2FZC Ki = 1900 uM EOP C6 H14 N2 O8 P2 C(CNC(=O)C....
6 1RAB - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
7 1RAF - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
8 2AIR - CP C H4 N O5 P C(=O)(N)OP....
9 4KH1 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
10 2FZK Ki = 310 uM EOZ C11 H14 N2 O10 P2 c1c(cc(cc1....
11 1Q95 Ki = 27 nM PAL C6 H10 N O8 P C([C@@H](C....
12 1RAE - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
13 1RAA - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
14 1ZA1 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
15 4FYY - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
16 8ATC - PAL C6 H10 N O8 P C([C@@H](C....
17 4KGZ - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
18 4FYV - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
19 4FYX - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
20 1RAC - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
21 1F1B - PAL C6 H10 N O8 P C([C@@H](C....
22 2FZG Ki = 420 uM EOB C10 H14 N2 O8 P2 c1cc(cc(c1....
23 1TUG - MLI C3 H2 O4 C(C(=O)[O-....
24 1D09 Ki = 27 nM PAL C6 H10 N O8 P C([C@@H](C....
25 4FYW - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
26 1RAI - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
27 4KGV - PAL C6 H10 N O8 P C([C@@H](C....
28 2H3E Kd = 2 uM 6PR C6 H11 N2 O7 P C([C@@H](C....
29 4KH0 - PAL C6 H10 N O8 P C([C@@H](C....
30 1RAD - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
31 1ZA2 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
32 1RAH - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
70% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4KGX - PAL C6 H10 N O8 P C([C@@H](C....
2 1R0C - NCD C5 H8 N2 O5 C([C@@H](C....
3 4F04 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
4 1RAG - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
5 2FZC Ki = 1900 uM EOP C6 H14 N2 O8 P2 C(CNC(=O)C....
6 1RAB - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
7 1RAF - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
8 2AIR - CP C H4 N O5 P C(=O)(N)OP....
9 4KH1 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
10 2FZK Ki = 310 uM EOZ C11 H14 N2 O10 P2 c1c(cc(cc1....
11 1Q95 Ki = 27 nM PAL C6 H10 N O8 P C([C@@H](C....
12 1RAE - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
13 1RAA - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
14 1ZA1 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
15 4FYY - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
16 8ATC - PAL C6 H10 N O8 P C([C@@H](C....
17 4KGZ - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
18 4FYV - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
19 4FYX - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
20 1RAC - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
21 1F1B - PAL C6 H10 N O8 P C([C@@H](C....
22 2FZG Ki = 420 uM EOB C10 H14 N2 O8 P2 c1cc(cc(c1....
23 1TUG - MLI C3 H2 O4 C(C(=O)[O-....
24 1D09 Ki = 27 nM PAL C6 H10 N O8 P C([C@@H](C....
25 4FYW - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
26 1RAI - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
27 4KGV - PAL C6 H10 N O8 P C([C@@H](C....
28 2H3E Kd = 2 uM 6PR C6 H11 N2 O7 P C([C@@H](C....
29 4KH0 - PAL C6 H10 N O8 P C([C@@H](C....
30 1RAD - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
31 1ZA2 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
32 1RAH - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4KGX - PAL C6 H10 N O8 P C([C@@H](C....
2 1R0C - NCD C5 H8 N2 O5 C([C@@H](C....
3 4F04 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
4 1RAG - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
5 2FZC Ki = 1900 uM EOP C6 H14 N2 O8 P2 C(CNC(=O)C....
6 1RAB - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
7 1RAF - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
8 2AIR - CP C H4 N O5 P C(=O)(N)OP....
9 4KH1 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
10 2FZK Ki = 310 uM EOZ C11 H14 N2 O10 P2 c1c(cc(cc1....
11 1Q95 Ki = 27 nM PAL C6 H10 N O8 P C([C@@H](C....
12 1RAE - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
13 1RAA - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
14 1ZA1 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
15 4FYY - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
16 8ATC - PAL C6 H10 N O8 P C([C@@H](C....
17 4KGZ - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
18 4FYV - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
19 4FYX - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
20 1RAC - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
21 1F1B - PAL C6 H10 N O8 P C([C@@H](C....
22 2FZG Ki = 420 uM EOB C10 H14 N2 O8 P2 c1cc(cc(c1....
23 1TUG - MLI C3 H2 O4 C(C(=O)[O-....
24 1D09 Ki = 27 nM PAL C6 H10 N O8 P C([C@@H](C....
25 4FYW - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
26 1RAI - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
27 4KGV - PAL C6 H10 N O8 P C([C@@H](C....
28 2H3E Kd = 2 uM 6PR C6 H11 N2 O7 P C([C@@H](C....
29 4KH0 - PAL C6 H10 N O8 P C([C@@H](C....
30 1RAD - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
31 1ZA2 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
32 1RAH - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
33 6FBA Kd = 19.9 uM D48 C10 H8 O2 c1ccc2cc(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CTP; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 HF4 1 1
2 CTP 1 1
3 CDP 0.895522 1
4 C5P 0.753623 0.985507
5 CAR 0.753623 0.985507
6 C 0.753623 0.985507
7 0RC 0.74026 0.918919
8 7XL 0.74026 0.944444
9 C2G 0.734177 0.957747
10 2TM 0.714286 0.958333
11 C5G 0.702381 0.944444
12 CDM 0.690476 0.894737
13 CDC 0.678571 0.82716
14 CXY 0.674419 0.944444
15 CDP MG 0.671053 0.942857
16 UTP 0.620253 0.942029
17 1AA 0.617021 0.906667
18 U5F 0.6125 0.942029
19 DCP 0.609756 0.90411
20 CTN 0.608696 0.857143
21 AR3 0.608696 0.857143
22 A7R 0.604167 0.931507
23 GTF 0.595238 0.90411
24 91P 0.582524 0.851852
25 I5A 0.577465 0.816901
26 DCT 0.559524 0.90411
27 UDP 0.54321 0.942029
28 CDP RB0 0.542553 0.917808
29 2AA 0.542056 0.693878
30 MCN 0.542056 0.819277
31 BUP 0.541176 0.878378
32 C3P 0.538462 0.942857
33 YYY 0.52381 0.90411
34 PMT 0.52381 0.85
35 GCQ 0.523256 0.90411
36 CSQ 0.520408 0.905405
37 CSV 0.520408 0.905405
38 16B 0.518519 0.917808
39 PCD 0.517544 0.781609
40 FZQ 0.511111 0.797619
41 C2P 0.5 0.957143
42 GPC 0.495575 0.819277
43 FN5 0.495413 0.871795
44 CSF 0.491071 0.871795
45 NCC 0.482143 0.918919
46 DKZ 0.481013 0.746667
47 HQ5 0.473684 0.758621
48 8GT 0.473118 0.907895
49 UNP 0.47191 0.915493
50 TKW 0.46988 0.971429
51 H6Y 0.463158 0.855263
52 G G 6MZ C 0.460177 0.814815
53 5HM 0.458824 0.958333
54 G C 0.45614 0.8375
55 YSC 0.455446 0.767442
56 MGT 0.453608 0.829268
57 UDH 0.452632 0.844156
58 UPP 0.452632 0.888889
59 GDU 0.447917 0.888889
60 UFM 0.447917 0.888889
61 UPG 0.447917 0.888889
62 DCM 0.447059 0.890411
63 DC 0.447059 0.890411
64 UFG 0.434343 0.842105
65 UPF 0.434343 0.842105
66 U2F 0.434343 0.842105
67 U 0.433735 0.927536
68 U5P 0.433735 0.927536
69 URM 0.43299 0.876712
70 660 0.43299 0.876712
71 UP5 0.432432 0.857143
72 5GW 0.431579 0.890411
73 0KX 0.430108 0.88
74 UPU 0.430108 0.887324
75 AWU 0.428571 0.888889
76 PRT 0.424528 0.842105
77 C5P SIA 0.423729 0.893333
78 DOC 0.423529 0.890411
79 G3N 0.421569 0.890411
80 G8D 0.421053 0.907895
81 UDX 0.42 0.888889
82 UAD 0.42 0.888889
83 2KH 0.417582 0.915493
84 3UC 0.417476 0.842105
85 4GW 0.415842 0.866667
86 UGA 0.411765 0.901408
87 UGB 0.411765 0.901408
88 USQ 0.411765 0.780488
89 V12 0.411765 0.75
90 CG2 0.410256 0.873418
91 UGF 0.407767 0.853333
92 GEO 0.407407 0.783784
93 NVG 0.403846 0.731707
94 44P 0.402299 0.902778
95 8OD 0.402062 0.855263
Ligand no: 2; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Ligand no: 3; Ligand: PCT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PCT 1 1
2 PAE 0.578947 0.657895
3 7VD 0.55 0.615385
4 PAH 0.478261 0.833333
5 EOP 0.423077 0.777778
6 CP 0.409091 0.731707
Similar Ligands (3D)
Ligand no: 1; Ligand: CTP; Similar ligands found: 38
No: Ligand Similarity coefficient
1 DCP MG 0.9768
2 ATP 0.9340
3 ANP 0.9332
4 BEF ADP 0.9306
5 DTP 0.9261
6 AGS 0.9211
7 GNP 0.9164
8 GTP 0.9139
9 GSP 0.9100
10 523 0.9081
11 DUT 0.9057
12 ADP ALF 0.9037
13 BEF GDP 0.9014
14 GCP 0.9014
15 ACP 0.9009
16 9GM 0.8976
17 TTP 0.8971
18 GDP BEF 0.8953
19 DBG 0.8952
20 GDP AF3 0.8952
21 ALF GDP 0.8897
22 APC 0.8893
23 GDP ALF 0.8876
24 3AT 0.8869
25 ADP BEF 0.8816
26 DUP 0.8797
27 ALF ADP 0.8743
28 GH3 0.8739
29 VO4 ADP 0.8731
30 D3T 0.8678
31 TYD 0.8658
32 DGT 0.8611
33 ADP AF3 0.8574
34 SFG 0.8566
35 D4T 0.8549
36 AD9 0.8544
37 SAM 0.8538
38 TLO 0.8527
Ligand no: 2; Ligand: MLI; Similar ligands found: 764
No: Ligand Similarity coefficient
1 P2D 1.0000
2 IFM 1.0000
3 JZ3 1.0000
4 ASP 1.0000
5 LMR 1.0000
6 C5J 1.0000
7 AAE 1.0000
8 3HR 1.0000
9 MLM 1.0000
10 DMG 1.0000
11 3HL 1.0000
12 IVA 1.0000
13 MLA 1.0000
14 HV2 0.9880
15 IPU 0.9844
16 DTL 0.9843
17 PRO 0.9822
18 CEJ 0.9811
19 CHT 0.9786
20 ALO 0.9774
21 KG7 0.9766
22 273 0.9763
23 24T 0.9763
24 NMG 0.9756
25 TFB 0.9748
26 MAK 0.9745
27 IQ0 0.9737
28 2PC 0.9736
29 3PY 0.9735
30 BUQ 0.9733
31 KIV 0.9731
32 BU4 0.9729
33 AKB 0.9727
34 PYC 0.9727
35 HYN 0.9719
36 VAL 0.9711
37 E60 0.9709
38 HDA 0.9706
39 MAE 0.9706
40 LEA 0.9698
41 BUA 0.9697
42 2HE 0.9694
43 THR 0.9694
44 DPR 0.9690
45 ABU 0.9686
46 4MV 0.9680
47 BAL 0.9679
48 BVC 0.9676
49 SAR 0.9675
50 SHF 0.9672
51 RP7 0.9672
52 SSN 0.9671
53 MZ0 0.9668
54 JBN 0.9666
55 CYH 0.9665
56 CXL 0.9665
57 25T 0.9665
58 FOA 0.9665
59 SIN 0.9663
60 FUM 0.9663
61 HAI 0.9651
62 AOA 0.9645
63 LAC 0.9642
64 SER 0.9641
65 OXD 0.9641
66 EGD 0.9638
67 1AC 0.9634
68 192 0.9630
69 3OH 0.9619
70 S0H 0.9613
71 IPH 0.9613
72 4JU 0.9611
73 IHG 0.9604
74 XIX 0.9602
75 DSN 0.9599
76 284 0.9596
77 TP5 0.9594
78 BMD 0.9589
79 2KT 0.9588
80 PRS 0.9586
81 CP 0.9585
82 T2C 0.9585
83 BUB 0.9581
84 FJO 0.9579
85 MPD 0.9578
86 DGY 0.9577
87 DXX 0.9576
88 ABA 0.9572
89 265 0.9570
90 HX2 0.9570
91 TZC 0.9561
92 MTG 0.9560
93 NVI 0.9560
94 URA 0.9558
95 HPY 0.9552
96 C21 0.9552
97 HVQ 0.9551
98 282 0.9551
99 L60 0.9550
100 PAE 0.9547
101 03W 0.9546
102 LER 0.9545
103 J1Z 0.9542
104 V1L 0.9542
105 RCO 0.9540
106 MSF 0.9540
107 ALA 0.9539
108 JAB 0.9538
109 A2Q 0.9536
110 POA 0.9536
111 XPO 0.9534
112 CRS 0.9533
113 PG3 0.9531
114 BVG 0.9522
115 1DH 0.9521
116 BAE 0.9518
117 3CH 0.9518
118 2IM 0.9517
119 DUC 0.9514
120 8X3 0.9514
121 SAT 0.9514
122 SMV 0.9513
123 1KA 0.9511
124 H95 0.9510
125 2OP 0.9509
126 GOL 0.9507
127 AMC 0.9506
128 DCL 0.9501
129 23W 0.9501
130 P7I 0.9500
131 HIU 0.9497
132 TB6 0.9495
133 PCT 0.9493
134 IDH 0.9490
135 ITU 0.9489
136 PRI 0.9488
137 7EX 0.9486
138 1MR 0.9485
139 OXM 0.9484
140 69O 0.9484
141 CYT 0.9480
142 HUI 0.9478
143 PPF 0.9477
144 SYN 0.9473
145 BXO 0.9472
146 JZ5 0.9472
147 93B 0.9472
148 1DU 0.9471
149 DTT 0.9470
150 HBS 0.9469
151 2EZ 0.9469
152 C2N 0.9468
153 TAU 0.9466
154 XAP 0.9462
155 26D 0.9462
156 LG3 0.9461
157 ALQ 0.9457
158 H3M 0.9457
159 BVF 0.9457
160 7VD 0.9454
161 LG5 0.9453
162 CYS 0.9448
163 MRY 0.9445
164 2MH 0.9443
165 HBR 0.9441
166 GXE 0.9440
167 OHG 0.9438
168 4HA 0.9438
169 9PO 0.9436
170 PYM 0.9435
171 3BB 0.9433
172 8GF 0.9432
173 NAK 0.9432
174 DAL 0.9432
175 ETX 0.9431
176 PYR 0.9429
177 SMB 0.9426
178 MBN 0.9425
179 ATQ 0.9420
180 ECE 0.9417
181 PLQ 0.9415
182 FW5 0.9414
183 DCY 0.9414
184 SLP 0.9410
185 GXV 0.9409
186 4AP 0.9408
187 HSE 0.9406
188 BTL 0.9404
189 HRZ 0.9403
190 6SP 0.9402
191 3AP 0.9401
192 BAQ 0.9401
193 A3B 0.9400
194 1CB 0.9400
195 HVK 0.9395
196 MZW 0.9394
197 DE2 0.9394
198 HGY 0.9393
199 AC5 0.9391
200 HGQ 0.9390
201 FCN 0.9389
202 HQE 0.9385
203 GBL 0.9385
204 2RA 0.9384
205 WOT 0.9383
206 THE 0.9382
207 FPI 0.9382
208 2AP 0.9381
209 39J 0.9380
210 HBX 0.9379
211 CIG 0.9378
212 FBJ 0.9377
213 ABN 0.9377
214 M3T 0.9375
215 RSF 0.9374
216 B3R 0.9373
217 DBB 0.9371
218 ILE 0.9368
219 40O 0.9368
220 4H2 0.9367
221 3ZQ 0.9362
222 FPN 0.9360
223 9X7 0.9358
224 HSM 0.9351
225 APY 0.9348
226 9YL 0.9345
227 HEW 0.9343
228 PY7 0.9343
229 TAY 0.9342
230 HYP 0.9337
231 NIS 0.9337
232 A8C 0.9335
233 M6W 0.9333
234 MB3 0.9332
235 LGA 0.9331
236 DA1 0.9330
237 PCR 0.9329
238 PE9 0.9329
239 HCS 0.9329
240 VX 0.9328
241 UY7 0.9327
242 PXY 0.9323
243 PYF 0.9321
244 8CL 0.9321
245 NBE 0.9314
246 TMT 0.9312
247 1DQ 0.9310
248 DAB 0.9307
249 5AC 0.9300
250 LG4 0.9300
251 OXQ 0.9299
252 ODV 0.9297
253 1SP 0.9296
254 FLA 0.9296
255 285 0.9295
256 ETF 0.9295
257 GAG 0.9295
258 HZP 0.9294
259 PCA 0.9292
260 PUT 0.9291
261 GBD 0.9289
262 UYA 0.9286
263 3MT 0.9285
264 NVA 0.9284
265 IDM 0.9280
266 PYJ 0.9279
267 QFH 0.9278
268 COM 0.9277
269 DEN 0.9277
270 25R 0.9276
271 ETM 0.9276
272 BUO 0.9275
273 ICC 0.9273
274 BP9 0.9270
275 XYS 0.9269
276 CAQ 0.9269
277 OPE 0.9268
278 VAH 0.9264
279 YCP 0.9264
280 YHO 0.9263
281 AMT 0.9263
282 HHQ 0.9261
283 IZC 0.9260
284 SGL 0.9258
285 4CH 0.9257
286 MCT 0.9256
287 ISU 0.9252
288 WTZ 0.9251
289 BML 0.9250
290 TMZ 0.9250
291 9CL 0.9249
292 BZF 0.9249
293 GLY ALA 0.9247
294 OXE 0.9246
295 0R1 0.9245
296 IND 0.9243
297 URF 0.9243
298 TH0 0.9243
299 3GR 0.9242
300 LZ1 0.9240
301 PGA 0.9240
302 60P 0.9238
303 4JP 0.9238
304 AML 0.9237
305 BEN 0.9236
306 GVH 0.9236
307 BZI 0.9235
308 JZ7 0.9234
309 MPI 0.9234
310 0CT 0.9233
311 BEZ 0.9232
312 L89 0.9232
313 R2B 0.9232
314 HY3 0.9228
315 MTD 0.9226
316 MEU 0.9225
317 6PC 0.9225
318 B24 0.9224
319 2HA 0.9223
320 TTO 0.9222
321 FPY 0.9218
322 1AB 0.9216
323 JZ9 0.9216
324 NIO 0.9215
325 MZY 0.9214
326 EDG 0.9214
327 HHN 0.9211
328 LDU 0.9211
329 23B 0.9211
330 HTX 0.9211
331 XYP 0.9210
332 TZL 0.9209
333 ZBT 0.9209
334 BAM 0.9208
335 NBN 0.9205
336 XBT 0.9204
337 DSS 0.9202
338 4HS 0.9202
339 CMS 0.9201
340 2CH 0.9200
341 NCA 0.9199
342 280 0.9198
343 3TR 0.9198
344 54D 0.9198
345 NTN 0.9196
346 NBZ 0.9196
347 8LG 0.9195
348 1AN 0.9193
349 TDR 0.9191
350 SS2 0.9190
351 5Y9 0.9190
352 4JN 0.9189
353 QSC 0.9189
354 NXA 0.9189
355 3SS 0.9188
356 LLQ 0.9187
357 BEW 0.9187
358 CRN 0.9186
359 3ZS 0.9183
360 A20 0.9183
361 MLT 0.9182
362 9SB 0.9182
363 5MP 0.9182
364 MR3 0.9181
365 2MZ 0.9180
366 TFS 0.9177
367 1PT 0.9171
368 OK7 0.9170
369 MWM 0.9167
370 4HO 0.9165
371 4MZ 0.9164
372 TEO 0.9164
373 TF4 0.9162
374 WBU 0.9160
375 1MZ 0.9159
376 PZA 0.9158
377 FP2 0.9156
378 HOW 0.9155
379 GG6 0.9152
380 ITN 0.9151
381 KSW 0.9148
382 HTS 0.9147
383 NCM 0.9147
384 PIS 0.9147
385 2AI 0.9145
386 2AF 0.9145
387 4XX 0.9145
388 XRG 0.9143
389 275 0.9143
390 13D 0.9143
391 EFS 0.9141
392 JZ0 0.9141
393 XBZ 0.9141
394 FMS 0.9138
395 92Z 0.9135
396 MRZ 0.9135
397 DTI 0.9134
398 93Q 0.9132
399 IOM 0.9130
400 MMU 0.9130
401 5UC 0.9127
402 UNU 0.9127
403 40E 0.9127
404 2YU 0.9125
405 76X 0.9123
406 4ZE 0.9123
407 DTU 0.9122
408 4DX 0.9118
409 CSS 0.9117
410 2AC 0.9117
411 AHR 0.9115
412 VGL 0.9113
413 PIH 0.9112
414 PPV 0.9109
415 JZ6 0.9108
416 HLT 0.9107
417 PAH 0.9106
418 2MP 0.9103
419 C2A 0.9103
420 SPA 0.9103
421 14J 0.9099
422 NK 0.9099
423 ICP 0.9098
424 PYD 0.9098
425 CIZ 0.9093
426 SS1 0.9091
427 9A4 0.9090
428 34A 0.9089
429 IOL 0.9088
430 XYD 0.9087
431 MMZ 0.9087
432 HY1 0.9087
433 FQI 0.9086
434 7WG 0.9083
435 YAN 0.9083
436 2DR 0.9081
437 6X8 0.9079
438 5KX 0.9078
439 UGC 0.9076
440 MMQ 0.9076
441 TM7 0.9076
442 1MC 0.9075
443 CRD 0.9075
444 51F 0.9075
445 ASN 0.9075
446 HGW 0.9074
447 AC0 0.9073
448 4CL 0.9073
449 M58 0.9070
450 R8A 0.9070
451 9TY 0.9070
452 COI 0.9069
453 278 0.9069
454 RB5 0.9066
455 XYL 0.9066
456 HSL 0.9065
457 IUR 0.9065
458 IT2 0.9062
459 JYD 0.9061
460 HE2 0.9060
461 D2P 0.9058
462 43M 0.9057
463 4AX 0.9056
464 HT4 0.9054
465 4JJ 0.9054
466 DAS 0.9052
467 938 0.9050
468 PBC 0.9049
469 9A7 0.9049
470 POP 0.9047
471 47J 0.9045
472 JZ1 0.9040
473 3MC 0.9039
474 3CL 0.9037
475 A1U 0.9037
476 HBA 0.9037
477 TAR 0.9036
478 286 0.9036
479 JZ2 0.9033
480 BNS 0.9032
481 BYZ 0.9028
482 TZE 0.9027
483 5MH 0.9022
484 PAF 0.9018
485 R1X 0.9016
486 PYG 0.9015
487 27Y 0.9014
488 LXC 0.9014
489 XUL 0.9011
490 BR9 0.9011
491 XLS 0.9007
492 2RH 0.9006
493 RBL 0.9004
494 IMR 0.9002
495 PXO 0.9000
496 RSO 0.8999
497 4JL 0.8998
498 L3Q 0.8996
499 MWJ 0.8993
500 5JC 0.8991
501 4JO 0.8990
502 2K4 0.8990
503 ES3 0.8986
504 BZX 0.8982
505 DMV 0.8981
506 1XX 0.8978
507 FBA 0.8978
508 GLV 0.8978
509 GMN 0.8977
510 FFP 0.8975
511 3FA 0.8974
512 FLM 0.8973
513 5H1 0.8971
514 AKR 0.8968
515 ICN 0.8967
516 5MB 0.8966
517 2C9 0.8964
518 KPL 0.8962
519 Z6J 0.8961
520 5MI 0.8961
521 LEU 0.8961
522 6AI 0.8960
523 DMI 0.8957
524 14O 0.8956
525 4VP 0.8956
526 MBD 0.8955
527 2MY 0.8955
528 RIB 0.8955
529 2PN 0.8954
530 GLY 0.8952
531 MZG 0.8950
532 F60 0.8947
533 RUU 0.8946
534 4SD 0.8945
535 0R0 0.8945
536 F3V 0.8944
537 ES9 0.8944
538 3MH 0.8944
539 GOA 0.8942
540 QOS 0.8942
541 EHM 0.8942
542 HYA 0.8941
543 0TR 0.8941
544 7CZ 0.8941
545 AGK 0.8936
546 ISZ 0.8935
547 PYZ 0.8930
548 6M4 0.8929
549 DYA 0.8928
550 VSO 0.8927
551 FK1 0.8926
552 HIO 0.8925
553 FAH 0.8923
554 11S 0.8920
555 GIF 0.8919
556 NHY 0.8918
557 HAE 0.8915
558 PPI 0.8911
559 TLA 0.8909
560 ARB 0.8908
561 H4N 0.8907
562 1DV 0.8905
563 HLR 0.8903
564 O7U 0.8902
565 3CE 0.8902
566 6MH 0.8899
567 FUC 0.8898
568 M2H 0.8898
569 PKU 0.8898
570 FAN 0.8897
571 NIE 0.8895
572 HSW 0.8891
573 AGU 0.8890
574 9EW 0.8889
575 TLD 0.8888
576 HVB 0.8886
577 NMU 0.8885
578 TAN 0.8882
579 OXZ 0.8882
580 98J 0.8880
581 2CM 0.8877
582 PHB 0.8876
583 2CO 0.8874
584 RIP 0.8874
585 GLU 0.8869
586 Y8I 0.8869
587 MGX 0.8868
588 URP 0.8868
589 34V 0.8867
590 CNH 0.8867
591 FUL 0.8866
592 F05 0.8864
593 8NY 0.8860
594 0RW 0.8860
595 JAE 0.8855
596 0MK 0.8854
597 DFU 0.8853
598 PEL 0.8851
599 SVN 0.8848
600 CXF 0.8844
601 J3K 0.8841
602 XM0 0.8841
603 AZF 0.8839
604 1DW 0.8839
605 AX7 0.8838
606 270 0.8838
607 SRT 0.8838
608 64K 0.8836
609 TB0 0.8835
610 C2B 0.8834
611 4CS 0.8830
612 6M9 0.8828
613 FEH 0.8826
614 ORN 0.8824
615 3Q7 0.8824
616 GLY CYS 0.8823
617 CFI 0.8817
618 PBE 0.8817
619 2MI 0.8816
620 PEA 0.8815
621 P92 0.8815
622 NPO 0.8812
623 KOJ 0.8812
624 F50 0.8812
625 DUB 0.8809
626 SNE 0.8808
627 ADE 0.8808
628 MET 0.8808
629 4JM 0.8804
630 FCA 0.8803
631 B20 0.8796
632 271 0.8794
633 ARA 0.8790
634 PM6 0.8789
635 13P 0.8788
636 MXN 0.8787
637 PZI 0.8786
638 QUZ 0.8784
639 DFB 0.8782
640 GLY GLY 0.8781
641 2A1 0.8778
642 2XX 0.8777
643 2CK 0.8776
644 9X6 0.8775
645 FUF 0.8775
646 BHO 0.8775
647 R8S 0.8774
648 2A3 0.8774
649 TSZ 0.8772
650 SAL 0.8771
651 TMH 0.8770
652 NIZ 0.8767
653 ABV 0.8766
654 F9P 0.8766
655 61G 0.8763
656 BNZ 0.8762
657 TNE 0.8761
658 R3W 0.8758
659 4XR 0.8756
660 FSG 0.8755
661 2AS 0.8755
662 CEE 0.8753
663 7N0 0.8752
664 0PY 0.8751
665 10L 0.8751
666 BP1 0.8751
667 AHB 0.8750
668 GUA 0.8748
669 717 0.8747
670 PAV 0.8747
671 ABE 0.8747
672 ES4 0.8743
673 3V4 0.8742
674 HPA 0.8738
675 PHZ 0.8738
676 G3P 0.8737
677 ATO 0.8736
678 3SL 0.8736
679 SPV 0.8735
680 2CQ 0.8734
681 3U4 0.8734
682 ICF 0.8733
683 GLL 0.8732
684 7WA 0.8732
685 URQ 0.8730
686 JBE 0.8729
687 PTO 0.8728
688 NPY 0.8725
689 MUC 0.8723
690 BXA 0.8718
691 23A 0.8717
692 P1R 0.8717
693 3XX 0.8714
694 PMB 0.8714
695 FBM 0.8710
696 YTB 0.8706
697 MDN 0.8705
698 1WD 0.8705
699 24B 0.8704
700 Z82 0.8702
701 NMJ 0.8702
702 4SV 0.8698
703 6MP 0.8697
704 GAB 0.8697
705 MNN 0.8694
706 150 0.8694
707 HMH 0.8693
708 3OC 0.8692
709 1DJ 0.8688
710 ZZT 0.8685
711 13X 0.8684
712 BE2 0.8682
713 FUB 0.8682
714 JKE 0.8681
715 2ZX 0.8680
716 3HB 0.8677
717 94N 0.8673
718 1BP 0.8672
719 5ZE 0.8671
720 TM4 0.8670
721 3Z7 0.8670
722 7WV 0.8669
723 3SK 0.8669
724 AX2 0.8668
725 45C 0.8668
726 FYU 0.8667
727 7HP 0.8667
728 ES6 0.8666
729 4ZC 0.8661
730 PEP 0.8658
731 H8N 0.8655
732 3AY 0.8655
733 3NT 0.8653
734 SEJ 0.8652
735 6UA 0.8646
736 5HN 0.8646
737 8GC 0.8644
738 WDL 0.8642
739 9HX 0.8639
740 3AB 0.8636
741 DQY 0.8634
742 6HQ 0.8632
743 PAB 0.8630
744 TH7 0.8629
745 BRP 0.8620
746 HIS 0.8619
747 FB2 0.8614
748 VNJ 0.8607
749 8H8 0.8605
750 KYD 0.8604
751 1P3 0.8602
752 ACH 0.8597
753 PBZ 0.8593
754 OVV 0.8589
755 DCD 0.8588
756 53C 0.8582
757 HBD 0.8581
758 1Y6 0.8576
759 ERH 0.8559
760 CP2 0.8557
761 P72 0.8552
762 WCE 0.8550
763 4MA 0.8550
764 TPA 0.8529
Ligand no: 3; Ligand: PCT; Similar ligands found: 234
No: Ligand Similarity coefficient
1 S0H 1.0000
2 TB6 0.9940
3 SAT 0.9826
4 MPD 0.9819
5 FCN 0.9789
6 POA 0.9616
7 8X3 0.9594
8 COM 0.9590
9 OPE 0.9555
10 3HR 0.9537
11 CHT 0.9531
12 IVA 0.9529
13 POP 0.9518
14 PGA 0.9511
15 MLI 0.9493
16 TAU 0.9480
17 GG6 0.9463
18 2HE 0.9451
19 PPV 0.9440
20 MLA 0.9439
21 EFS 0.9436
22 P7I 0.9427
23 PIS 0.9423
24 ETM 0.9392
25 MLM 0.9388
26 2PN 0.9378
27 1DQ 0.9377
28 FLA 0.9350
29 LLQ 0.9348
30 3PP 0.9343
31 HX2 0.9335
32 XPO 0.9335
33 DMG 0.9327
34 3HL 0.9318
35 ODV 0.9316
36 BTL 0.9311
37 A20 0.9307
38 IPU 0.9302
39 C5J 0.9292
40 VX 0.9285
41 P2D 0.9282
42 AAE 0.9281
43 1GP 0.9264
44 MDN 0.9243
45 BAE 0.9232
46 X1S 0.9210
47 VAL 0.9199
48 9SB 0.9191
49 MLT 0.9187
50 THR 0.9186
51 MAE 0.9185
52 SIN 0.9184
53 9X6 0.9183
54 ASP 0.9166
55 FJO 0.9158
56 PRO 0.9158
57 KIV 0.9147
58 2PC 0.9142
59 4MV 0.9133
60 HYP 0.9127
61 ASN 0.9120
62 TFS 0.9119
63 MRY 0.9106
64 FUM 0.9092
65 PAF 0.9090
66 LEU 0.9082
67 PEP 0.9075
68 T2C 0.9073
69 DTL 0.9071
70 G2H 0.9069
71 1Y8 0.9069
72 PPF 0.9063
73 98J 0.9061
74 G3H 0.9059
75 G3P 0.9059
76 HDA 0.9057
77 2RH 0.9055
78 FW5 0.9053
79 SRT 0.9047
80 ABU 0.9037
81 CIZ 0.9032
82 TFB 0.9031
83 LMR 0.9025
84 TZC 0.9023
85 NMG 0.9021
86 PYC 0.9020
87 THE 0.9006
88 SMV 0.9006
89 H95 0.9005
90 273 0.9004
91 3PY 0.9004
92 FOA 0.9003
93 PMB 0.9002
94 IHG 0.8998
95 SPV 0.8995
96 JBN 0.8994
97 DCL 0.8993
98 IQ0 0.8990
99 HV2 0.8990
100 TLA 0.8987
101 UY7 0.8986
102 PRS 0.8983
103 DPR 0.8981
104 LEA 0.8977
105 SSN 0.8975
106 CRN 0.8972
107 1SP 0.8970
108 HZP 0.8966
109 HIO 0.8956
110 TEO 0.8953
111 MAK 0.8952
112 AKB 0.8948
113 OAA 0.8946
114 TP5 0.8943
115 ITN 0.8941
116 1SA 0.8940
117 13P 0.8937
118 GZ3 0.8935
119 DMV 0.8933
120 COI 0.8930
121 HSE 0.8926
122 ILE 0.8922
123 LER 0.8916
124 ICF 0.8915
125 XBT 0.8913
126 PPR 0.8911
127 DSS 0.8902
128 ALO 0.8897
129 XYL 0.8895
130 RB5 0.8895
131 1AC 0.8893
132 FSG 0.8890
133 GLN 0.8885
134 2KT 0.8883
135 DAS 0.8879
136 TAR 0.8878
137 O7U 0.8874
138 0V5 0.8873
139 PEQ 0.8873
140 IOM 0.8860
141 JYD 0.8857
142 SER 0.8854
143 3SL 0.8854
144 6PC 0.8846
145 ZBT 0.8844
146 TZL 0.8844
147 BAL 0.8844
148 1DV 0.8842
149 1DU 0.8842
150 C21 0.8841
151 BUA 0.8834
152 MSF 0.8826
153 BU4 0.8824
154 2AS 0.8814
155 PBE 0.8810
156 JZ5 0.8809
157 VAH 0.8809
158 RBL 0.8804
159 NXA 0.8801
160 PCA 0.8793
161 SGL 0.8790
162 GLY ALA 0.8790
163 03W 0.8787
164 PUT 0.8787
165 YCP 0.8787
166 XLS 0.8785
167 XUL 0.8780
168 BMD 0.8778
169 ACH 0.8777
170 HSM 0.8776
171 DXX 0.8773
172 DAB 0.8769
173 NVA 0.8768
174 FB2 0.8764
175 BVC 0.8764
176 GLU 0.8762
177 9YL 0.8759
178 GP9 0.8753
179 BEN 0.8750
180 1CO 0.8746
181 SPA 0.8744
182 HCS 0.8742
183 AHB 0.8735
184 AC5 0.8735
185 SAR 0.8734
186 2MH 0.8722
187 4JU 0.8722
188 MET 0.8718
189 J1Z 0.8718
190 CMS 0.8717
191 3PG 0.8716
192 BXO 0.8715
193 URP 0.8715
194 MTG 0.8711
195 BAM 0.8711
196 ITU 0.8710
197 AKG 0.8706
198 284 0.8705
199 CSS 0.8704
200 M58 0.8703
201 DE2 0.8700
202 R67 0.8694
203 23W 0.8694
204 M6W 0.8693
205 3V4 0.8676
206 265 0.8670
207 JAB 0.8668
208 DGY 0.8665
209 SS2 0.8647
210 FBJ 0.8643
211 IZC 0.8642
212 7N0 0.8642
213 ROR 0.8639
214 2PG 0.8638
215 BUB 0.8636
216 2CO 0.8633
217 UYA 0.8631
218 XAP 0.8627
219 ABN 0.8626
220 QSC 0.8620
221 ORN 0.8619
222 SNE 0.8618
223 GUA 0.8609
224 39J 0.8607
225 1SH 0.8599
226 8K2 0.8597
227 3OH 0.8590
228 MEV 0.8588
229 BUQ 0.8583
230 SS1 0.8583
231 I2M 0.8579
232 APY 0.8563
233 54D 0.8557
234 AC0 0.8546
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D09; Ligand: PAL; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1d09.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
1 2I6U CP 47.8827
2 4BJH PAL 48.0645
Pocket No.: 2; Query (leader) PDB : 1D09; Ligand: PAL; 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: 1d09.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1D09; Ligand: PAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1d09.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1D09; Ligand: PAL; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 1d09.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
1 2I6U CP 47.8827
2 4BJH PAL 48.0645
Pocket No.: 5; Query (leader) PDB : 1D09; Ligand: PAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1d09.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1D09; Ligand: PAL; 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: 1d09.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
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