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Receptor
PDB id Resolution Class Description Source Keywords
2VCX 2.1 Å EC: 5.3.99.2 COMPLEX STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE AT 2.1A. HOMO SAPIENS PROSTAGLANDIN BIOSYNTHESIS FATTY ACID BIOSYNTHESIS PROSTAGLANDIN D2 SYNTHASE PGDS ASTHMA CYTOPLASM ISOMERASE LIPID SYNTHESIS
Ref.: NOVEL PROSTAGLANDIN D SYNTHASE INHIBITORS GENERATED BY FRAGMENT-BASED DRUG DESIGN. J.MED.CHEM. V. 51 2178 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D26 B:1201;
C:1202;
D:1201;
Valid;
Valid;
Valid;
none;
none;
none;
ic50 = 0.021 uM
227.285 C12 H9 N3 S c1ccc...
GSH A:1201;
B:1200;
C:1201;
D:1200;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
MG A:1200;
C:1200;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YWX 1.74 Å EC: 5.3.99.2 CRYSTAL STRUCTURE OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE WITH F092 HOMO SAPIENS PROSTAGLANDIN SYNTHASE INHIBITOR TRANSFERASE TRANSFERASETRANSFERASE INHIBITOR COMPLEX
Ref.: CHARACTERIZATION OF CRYSTAL WATER MOLECULES IN A HIGH-AFFINITY INHIBITOR AND HEMATOPOIETIC PROSTAGLA SYNTHASE COMPLEX BY INTERACTION ENERGY STUDIES. BIOORG. MED. CHEM. V. 26 4726 2018
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5YWX Kd = 0.14 nM 93C C20 H17 N5 O2 c1ccnc(c1)....
2 2VD1 ic50 = 0.138 uM D28 C17 H13 F N2 O3 S Cc1cc(ccc1....
3 4EC0 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 5AIX Kd = 0.17 uM KRX C20 H22 F3 N3 O2 COc1cccc(c....
5 2CVD Kd = 0.8 uM HQL C22 H27 N5 O c1ccc(cc1)....
6 3VI7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 4EDY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 4EE0 - GSF C10 H17 N3 O8 S C(CC(=O)N[....
9 5AIS Kd = 0.57 uM CWC C19 H22 N4 O CN(C)CCCC(....
10 2VCX ic50 = 0.021 uM D26 C12 H9 N3 S c1ccc(cc1)....
11 3VI5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
12 5AIV Kd = 0.65 uM M1W C15 H16 N4 O3 COCCCNC(=O....
13 1V40 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
14 1IYI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
15 2VCW ic50 = 890 uM ZZA C10 H8 N2 O2 c1ccc(cc1)....
16 2VCZ - VC3 C9 H7 N3 O2 c1cc(ccc1c....
17 4EDZ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
18 3EE2 ic50 ~ 65 uM NZO C14 H11 N3 O3 S COC(=O)Nc1....
19 1IYH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
20 2VD0 ic50 = 11.6 uM D27 C18 H17 N O5 COc1ccc(cc....
21 2VCQ ic50 = 0.92 uM D25 C12 H9 N3 O c1ccc(cc1)....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5YWX Kd = 0.14 nM 93C C20 H17 N5 O2 c1ccnc(c1)....
2 2VD1 ic50 = 0.138 uM D28 C17 H13 F N2 O3 S Cc1cc(ccc1....
3 4EC0 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 5AIX Kd = 0.17 uM KRX C20 H22 F3 N3 O2 COc1cccc(c....
5 2CVD Kd = 0.8 uM HQL C22 H27 N5 O c1ccc(cc1)....
6 3VI7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 4EDY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 4EE0 - GSF C10 H17 N3 O8 S C(CC(=O)N[....
9 5AIS Kd = 0.57 uM CWC C19 H22 N4 O CN(C)CCCC(....
10 2VCX ic50 = 0.021 uM D26 C12 H9 N3 S c1ccc(cc1)....
11 3VI5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
12 5AIV Kd = 0.65 uM M1W C15 H16 N4 O3 COCCCNC(=O....
13 1V40 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
14 1IYI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
15 2VCW ic50 = 890 uM ZZA C10 H8 N2 O2 c1ccc(cc1)....
16 2VCZ - VC3 C9 H7 N3 O2 c1cc(ccc1c....
17 4EDZ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
18 3EE2 ic50 ~ 65 uM NZO C14 H11 N3 O3 S COC(=O)Nc1....
19 1IYH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
20 2VD0 ic50 = 11.6 uM D27 C18 H17 N O5 COc1ccc(cc....
21 2VCQ ic50 = 0.92 uM D25 C12 H9 N3 O c1ccc(cc1)....
22 1PD2 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1M0U - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 2ON5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 1OE7 Kd = 9 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 2CAQ Kd = 285 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 2C80 Kd = 4.7 uM GTX C16 H30 N3 O6 S CCCCCCSC[C....
6 2CA8 Kd = 22 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 2F8F Kd = 21 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 1OE8 Kd = 9 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
9 2GSQ - GBI C17 H22 I N3 O6 S c1cc(cc(c1....
10 1GSQ - GDN C16 H19 N5 O10 S c1cc(c(cc1....
11 5H5L - GSH C10 H17 N3 O6 S C(CC(=O)N[....
12 5YWX Kd = 0.14 nM 93C C20 H17 N5 O2 c1ccnc(c1)....
13 2VD1 ic50 = 0.138 uM D28 C17 H13 F N2 O3 S Cc1cc(ccc1....
14 4EC0 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
15 5AIX Kd = 0.17 uM KRX C20 H22 F3 N3 O2 COc1cccc(c....
16 2CVD Kd = 0.8 uM HQL C22 H27 N5 O c1ccc(cc1)....
17 3VI7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
18 4EDY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
19 4EE0 - GSF C10 H17 N3 O8 S C(CC(=O)N[....
20 5AIS Kd = 0.57 uM CWC C19 H22 N4 O CN(C)CCCC(....
21 2VCX ic50 = 0.021 uM D26 C12 H9 N3 S c1ccc(cc1)....
22 3VI5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
23 5AIV Kd = 0.65 uM M1W C15 H16 N4 O3 COCCCNC(=O....
24 1V40 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
25 1IYI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
26 2VCW ic50 = 890 uM ZZA C10 H8 N2 O2 c1ccc(cc1)....
27 2VCZ - VC3 C9 H7 N3 O2 c1cc(ccc1c....
28 4EDZ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
29 3EE2 ic50 ~ 65 uM NZO C14 H11 N3 O3 S COC(=O)Nc1....
30 1IYH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
31 2VD0 ic50 = 11.6 uM D27 C18 H17 N O5 COc1ccc(cc....
32 2VCQ ic50 = 0.92 uM D25 C12 H9 N3 O c1ccc(cc1)....
33 1Q4J - GTX C16 H30 N3 O6 S CCCCCCSC[C....
34 1ZL9 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
35 3W8S - GSH C10 H17 N3 O6 S C(CC(=O)N[....
36 1PD2 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: D26; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 D26 1 1
Ligand no: 2; Ligand: GSH; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GS8 0.672727 0.840909
6 GDS 0.672727 0.837209
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 BWS 0.581818 0.871795
16 TS5 0.573529 0.880952
17 GSB 0.528571 0.878049
18 0HH 0.528571 0.782609
19 GSO 0.521127 0.857143
20 BOB 0.493506 0.75
21 GTB 0.493333 0.631579
22 GBI 0.486842 0.782609
23 48T 0.481013 0.8
24 GTD 0.480519 0.6
25 ESG 0.480519 0.62069
26 L9X 0.480519 0.62069
27 1R4 0.474359 0.62069
28 GIP 0.474359 0.6
29 GBP 0.468354 0.6
30 GPS 0.468354 0.72
31 GPR 0.468354 0.72
32 GAZ 0.457831 0.679245
33 GVX 0.45679 0.8
34 HFV 0.447761 0.8
35 ASV 0.446154 0.9
36 GNB 0.445783 0.6
37 VB1 0.444444 0.9
38 W05 0.444444 0.923077
39 LZ6 0.436782 0.692308
40 ACV 0.430769 0.878049
41 CDH 0.424242 0.818182
42 BCV 0.424242 0.9
43 2G2 0.42029 0.615385
44 HGA 0.42 0.622222
45 MEQ 0.411765 0.658537
46 M8F 0.411765 0.837209
47 TS4 0.410256 0.804348
48 M9F 0.405797 0.837209
49 KKA 0.4 0.894737
50 ACW 0.4 0.8
51 M2W 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5YWX; Ligand: GSH; Similar sites found with APoc: 124
This union binding pocket(no: 1) in the query (biounit: 5ywx.bio2) has 101 residues
No: Leader PDB Ligand Sequence Similarity
1 2JAC GSH None
2 4TR1 GSH None
3 5NNT DPV None
4 1VLT ASP None
5 1NU4 MLA None
6 4WG0 CHD None
7 5UGW GSH None
8 4O4Z N2O None
9 2GJ5 VD3 1.23457
10 2YFB SIN 1.51515
11 1R6N 434 1.51515
12 1Q1Y BB2 1.57068
13 5ECS GSH 2.0202
14 2VO4 GTB 2.0202
15 4DR9 BB2 2.60417
16 3KO0 TFP 2.9703
17 5J3R GSH 3.0303
18 4USS GSH 3.0303
19 1TV5 N8E 3.0303
20 3C8E GSH 3.53535
21 4WGF HX2 3.53535
22 4MGA 27L 3.53535
23 5NC1 NAG 3.53535
24 5MOB A8S 3.53535
25 2HFP NSI 3.53535
26 3RHC GSH 3.53982
27 1Q3A NGH 3.63636
28 5V4R MGT 3.7037
29 5KQA GSH 3.78788
30 1V2A GTS 4.0404
31 3WD6 GSH 4.0404
32 5ECP GSH 4.0404
33 3E70 GDP 4.0404
34 6CB2 OLC 4.0404
35 1R4W GSH 4.0404
36 1AUA BOG 4.0404
37 4JNJ BTN 4.34783
38 5CHR 4NC 4.37956
39 4OB6 S2T 4.54545
40 1WMA AB3 4.71014
41 3L4N GSH 4.72441
42 1RL4 BL5 5.31915
43 3FXU TSU 5.55556
44 2VWA PTY 5.94059
45 6CGN DA 6.06061
46 2V6K TGG 6.06061
47 6F68 GSH 6.06061
48 6F68 4EU 6.06061
49 1OYJ GSH 7.07071
50 5UUO GSH 7.07071
51 6F70 GSH 7.07071
52 5ZWP GSH 7.57576
53 5LX9 OLB 7.57576
54 5C1M OLC 8
55 1JLV GSH 8.08081
56 5G5F GSH 8.08081
57 1AXD GGL CYW GLY 8.58586
58 3F6D GTX 8.58586
59 4AGS GSH 8.58586
60 4G10 GSH 8.58586
61 2C3Q GTX 8.58586
62 3GCM 5GP 9.59596
63 4OGQ 7PH 9.59596
64 5LOL GSH 10.101
65 3TDC 0EU 10.101
66 1R5A GTS 10.6061
67 3GX0 GDS 10.6061
68 5F06 GSH 11.1111
69 4F0B GDS 11.6162
70 3WYW GSH 12.1212
71 5C9J DAO 12.1212
72 1K0D GSH 12.6263
73 5FHI GSH 12.6263
74 5F05 GSH 13.1313
75 4XT0 GSH 13.1313
76 3AQT RCO 13.1313
77 3OJI PYV 13.2275
78 1N2A GTS 13.4328
79 1PN9 GTX 13.6364
80 1GWC GTX 13.6364
81 5LWY OLB 14.0187
82 2WCI GSH 14.0741
83 4G19 GSH 14.1414
84 3O01 DXC 14.1414
85 2WUL GSH 14.4068
86 6F05 GTS 14.6465
87 1JGS SAL 15.942
88 3N5O GSH 16.1616
89 4IS0 GDS 16.6667
90 4IS0 1R4 16.6667
91 1HBK MYR 22.4719
92 5OSW DIU 24.2424
93 2DSA GSH 27.7778
94 2DSA HPX 27.7778
95 4RI6 GSH 28.7879
96 3VWX GSH 29.798
97 1FW1 GSH 32.8283
98 4YH2 GSH 33.3333
99 6EP7 GSH 33.3333
100 2IMI GSH 33.3333
101 3IBH GSH 34.3434
102 2YCD GTB 34.8485
103 2PVQ GSH 35.8586
104 4ZBA GDS 36.3636
105 4ZB8 GDS 36.8687
106 4ZB6 GDS 37.3737
107 4WR4 GSH 37.7049
108 5AN1 GSH 38.8889
109 4PNG GSF 38.8889
110 1DUG GSH 39.3162
111 5GZZ GSH 42.2018
112 3GST GPR 42.9293
113 2FHE GSH 43.9394
114 2C4J GSO 43.9394
115 3ISO GSH 44.4444
116 1B4P GPS 44.4444
117 3IE3 N11 45.4545
118 3IE3 GSH 45.4545
119 1GSU GTX 45.9596
120 1XW6 GSH 45.9596
121 3O76 GTB 46.9697
122 2GSR GTS 47.4747
123 1ML6 GBX 48.9899
124 1TU7 GSH 48.9899
125 3VPQ GSH 50
126 1U3I GSH 50
127 2AAW GTX 50
Pocket No.: 2; Query (leader) PDB : 5YWX; Ligand: GSH; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 5ywx.bio2) has 96 residues
No: Leader PDB Ligand Sequence Similarity
1 4E70 N7I 2.0202
2 5MTE BB2 2.18978
3 2WG9 OCA 2.30769
4 1J78 OLA 2.52525
5 3OUM TOF 5.05051
6 1K12 FUC 5.06329
7 6EGU 43Y 7.07071
8 1A05 IPM 7.07071
9 3FZG SAM 7.07071
10 1T0S BML 8.58586
11 5Z84 CHD 10.8696
12 4OKZ 3E9 12.1212
Pocket No.: 3; Query (leader) PDB : 5YWX; Ligand: 93C; Similar sites found with APoc: 124
This union binding pocket(no: 3) in the query (biounit: 5ywx.bio2) has 101 residues
No: Leader PDB Ligand Sequence Similarity
1 2JAC GSH None
2 4TR1 GSH None
3 5NNT DPV None
4 1VLT ASP None
5 1NU4 MLA None
6 4WG0 CHD None
7 5UGW GSH None
8 4O4Z N2O None
9 2GJ5 VD3 1.23457
10 2YFB SIN 1.51515
11 1R6N 434 1.51515
12 1Q1Y BB2 1.57068
13 5ECS GSH 2.0202
14 2VO4 GTB 2.0202
15 4DR9 BB2 2.60417
16 3KO0 TFP 2.9703
17 5J3R GSH 3.0303
18 4USS GSH 3.0303
19 1TV5 N8E 3.0303
20 3C8E GSH 3.53535
21 4WGF HX2 3.53535
22 4MGA 27L 3.53535
23 5NC1 NAG 3.53535
24 5MOB A8S 3.53535
25 2HFP NSI 3.53535
26 3RHC GSH 3.53982
27 1Q3A NGH 3.63636
28 5V4R MGT 3.7037
29 5KQA GSH 3.78788
30 1V2A GTS 4.0404
31 3WD6 GSH 4.0404
32 5ECP GSH 4.0404
33 3E70 GDP 4.0404
34 6CB2 OLC 4.0404
35 1R4W GSH 4.0404
36 1AUA BOG 4.0404
37 4JNJ BTN 4.34783
38 5CHR 4NC 4.37956
39 4OB6 S2T 4.54545
40 1WMA AB3 4.71014
41 3L4N GSH 4.72441
42 1RL4 BL5 5.31915
43 3FXU TSU 5.55556
44 2VWA PTY 5.94059
45 6CGN DA 6.06061
46 2V6K TGG 6.06061
47 6F68 GSH 6.06061
48 6F68 4EU 6.06061
49 1OYJ GSH 7.07071
50 5UUO GSH 7.07071
51 6F70 GSH 7.07071
52 5ZWP GSH 7.57576
53 5LX9 OLB 7.57576
54 5C1M OLC 8
55 1JLV GSH 8.08081
56 5G5F GSH 8.08081
57 1AXD GGL CYW GLY 8.58586
58 3F6D GTX 8.58586
59 4AGS GSH 8.58586
60 4G10 GSH 8.58586
61 2C3Q GTX 8.58586
62 3GCM 5GP 9.59596
63 4OGQ 7PH 9.59596
64 5LOL GSH 10.101
65 3TDC 0EU 10.101
66 1R5A GTS 10.6061
67 3GX0 GDS 10.6061
68 5F06 GSH 11.1111
69 4F0B GDS 11.6162
70 3WYW GSH 12.1212
71 5C9J DAO 12.1212
72 1K0D GSH 12.6263
73 5FHI GSH 12.6263
74 5F05 GSH 13.1313
75 4XT0 GSH 13.1313
76 3AQT RCO 13.1313
77 3OJI PYV 13.2275
78 1N2A GTS 13.4328
79 1PN9 GTX 13.6364
80 1GWC GTX 13.6364
81 5LWY OLB 14.0187
82 2WCI GSH 14.0741
83 4G19 GSH 14.1414
84 3O01 DXC 14.1414
85 2WUL GSH 14.4068
86 6F05 GTS 14.6465
87 1JGS SAL 15.942
88 3N5O GSH 16.1616
89 4IS0 GDS 16.6667
90 4IS0 1R4 16.6667
91 1HBK MYR 22.4719
92 5OSW DIU 24.2424
93 2DSA GSH 27.7778
94 2DSA HPX 27.7778
95 4RI6 GSH 28.7879
96 3VWX GSH 29.798
97 1FW1 GSH 32.8283
98 4YH2 GSH 33.3333
99 6EP7 GSH 33.3333
100 2IMI GSH 33.3333
101 3IBH GSH 34.3434
102 2YCD GTB 34.8485
103 2PVQ GSH 35.8586
104 4ZBA GDS 36.3636
105 4ZB8 GDS 36.8687
106 4ZB6 GDS 37.3737
107 4WR4 GSH 37.7049
108 5AN1 GSH 38.8889
109 4PNG GSF 38.8889
110 1DUG GSH 39.3162
111 5GZZ GSH 42.2018
112 3GST GPR 42.9293
113 2FHE GSH 43.9394
114 2C4J GSO 43.9394
115 3ISO GSH 44.4444
116 1B4P GPS 44.4444
117 3IE3 N11 45.4545
118 3IE3 GSH 45.4545
119 1GSU GTX 45.9596
120 1XW6 GSH 45.9596
121 3O76 GTB 46.9697
122 2GSR GTS 47.4747
123 1ML6 GBX 48.9899
124 1TU7 GSH 48.9899
125 3VPQ GSH 50
126 1U3I GSH 50
127 2AAW GTX 50
Pocket No.: 4; Query (leader) PDB : 5YWX; Ligand: 93C; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 5ywx.bio2) has 97 residues
No: Leader PDB Ligand Sequence Similarity
1 4E70 N7I 2.0202
2 5MTE BB2 2.18978
3 2WG9 OCA 2.30769
4 1J78 OLA 2.52525
5 3RKR NAP 3.0303
6 3OUM TOF 5.05051
7 2FAH MLA 5.55556
8 6EGU 43Y 7.07071
9 3FZG SAM 7.07071
10 1T0S BML 8.58586
11 5Z84 CHD 10.8696
12 4OKZ 3E9 12.1212
Pocket No.: 5; Query (leader) PDB : 5YWX; Ligand: GSH; Similar sites found with APoc: 7
This union binding pocket(no: 5) in the query (biounit: 5ywx.bio1) has 96 residues
No: Leader PDB Ligand Sequence Similarity
1 3GWN FAD None
2 4I90 CHT 2.52525
3 1S17 GNR 3.33333
4 5W7B MYR 3.53535
5 4TQ3 GPP 4.0404
6 3SQG COM 7.07071
7 4IA6 EIC 10.6061
Pocket No.: 6; Query (leader) PDB : 5YWX; Ligand: GSH; Similar sites found with APoc: 3
This union binding pocket(no: 6) in the query (biounit: 5ywx.bio1) has 101 residues
No: Leader PDB Ligand Sequence Similarity
1 3BMW GLC GLC G6D ACI GLC GLC GLC 3.0303
2 1NRL SRL 5.6962
3 2XN5 FUN 17.1429
Pocket No.: 7; Query (leader) PDB : 5YWX; Ligand: 93C; Similar sites found with APoc: 7
This union binding pocket(no: 7) in the query (biounit: 5ywx.bio1) has 96 residues
No: Leader PDB Ligand Sequence Similarity
1 3GWN FAD None
2 4I90 CHT 2.52525
3 1S17 GNR 3.33333
4 5W7B MYR 3.53535
5 4TQ3 GPP 4.0404
6 3SQG COM 7.07071
7 4IA6 EIC 10.6061
Pocket No.: 8; Query (leader) PDB : 5YWX; Ligand: 93C; Similar sites found with APoc: 3
This union binding pocket(no: 8) in the query (biounit: 5ywx.bio1) has 101 residues
No: Leader PDB Ligand Sequence Similarity
1 3BMW GLC GLC G6D ACI GLC GLC GLC 3.0303
2 1NRL SRL 5.6962
3 2XN5 FUN 17.1429
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