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Receptor
PDB id Resolution Class Description Source Keywords
5D63 1.65 Å NON-ENZYME: BINDING MOA-Z-VAD-FMK INHIBITOR COMPLEX, DIRECT/INVERTED DUAL ORIENT MARASMIUS OREADES HYDROLASE PAPAIN-LIKE INHIBITOR PROTEASE FUNGAL
Ref.: AN UNUSUAL MEMBER OF THE PAPAIN SUPERFAMILY: MAPPIN CATALYTIC CLEFT OF THE MARASMIUS OREADES AGGLUTININ WITH A CASPASE INHIBITOR. PLOS ONE V. 11 49407 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUC GLA GLA A:307;
A:304;
Valid;
Valid;
none;
none;
submit data
488.439 n/a O(C1C...
CA A:318;
A:319;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
PHQ VAL ALA ASP CF0 L:1;
Invalid;
none;
submit data n/a n/a n/a n/a
EDO A:312;
A:310;
A:311;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FUC GAL GLA A:301;
Valid;
none;
submit data
488.439 n/a O(C1C...
DMS A:314;
A:313;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
NA A:320;
Part of Protein;
none;
submit data
22.99 Na [Na+]
CL A:316;
A:315;
A:317;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D63 1.65 Å NON-ENZYME: BINDING MOA-Z-VAD-FMK INHIBITOR COMPLEX, DIRECT/INVERTED DUAL ORIENT MARASMIUS OREADES HYDROLASE PAPAIN-LIKE INHIBITOR PROTEASE FUNGAL
Ref.: AN UNUSUAL MEMBER OF THE PAPAIN SUPERFAMILY: MAPPIN CATALYTIC CLEFT OF THE MARASMIUS OREADES AGGLUTININ WITH A CASPASE INHIBITOR. PLOS ONE V. 11 49407 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5MU9 - FUC GLA GLA n/a n/a
2 5D61 - FUC GLA GLA n/a n/a
3 5D62 - FUC GAL GLA n/a n/a
4 5D63 - FUC GAL GLA n/a n/a
5 3EF2 - FUC GAL GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5MU9 - FUC GLA GLA n/a n/a
2 5D61 - FUC GLA GLA n/a n/a
3 5D62 - FUC GAL GLA n/a n/a
4 5D63 - FUC GAL GLA n/a n/a
5 3EF2 - FUC GAL GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5MU9 - FUC GLA GLA n/a n/a
2 5D61 - FUC GLA GLA n/a n/a
3 5D62 - FUC GAL GLA n/a n/a
4 5D63 - FUC GAL GLA n/a n/a
5 3EF2 - FUC GAL GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
7 3PHZ - NAG GAL SIA n/a n/a
8 5MUA - GAL C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC GLA GLA; Similar ligands found: 183
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA FUC 1 1
2 FUC GLA GLA 1 1
3 GLA GAL FUC 1 1
4 FUC GAL GLA 1 1
5 GAL GAL FUC 1 1
6 NGA GAL FUC 0.691176 0.73913
7 A2G GAL FUC 0.691176 0.73913
8 FUC GLA A2G 0.691176 0.73913
9 A2G GLA FUC 0.691176 0.73913
10 FUC GAL A2G 0.691176 0.73913
11 FUC GAL NGA 0.671429 0.708333
12 FUC BGC GAL 0.666667 1
13 GLA MAN ABE 0.656716 0.944444
14 FUC GAL 0.627119 0.970588
15 BGC GLA GAL FUC 0.619718 1
16 BGB 0.56 0.790698
17 GAL NDG FUC 0.547945 0.73913
18 FUC NDG GAL 0.547945 0.73913
19 2M4 0.542373 0.970588
20 FUC NAG GAL 0.533333 0.68
21 LAT FUC 0.528571 1
22 GLC GAL FUC 0.528571 1
23 8B7 0.528571 1
24 BGC GAL FUC 0.528571 1
25 FUC GAL GLC 0.528571 1
26 GAL NAG GAL FUC 0.525 0.73913
27 GLA NAG GAL FUC 0.525 0.73913
28 LB2 0.508197 0.970588
29 NGR 0.508197 0.970588
30 MAN GLC 0.508197 0.970588
31 M3M 0.508197 0.970588
32 MAG FUC GAL 0.506667 0.708333
33 DR3 0.493506 0.73913
34 BMA BMA MAN 0.484848 0.970588
35 MAN MAN BMA 0.484848 0.970588
36 FUC BGC GAL NAG GAL 0.483146 0.73913
37 FUC BGC GAL NAG 0.482353 0.73913
38 FUC NAG 0.479452 0.66
39 GLA GAL NAG FUC GAL GLC 0.478261 0.73913
40 GAL A2G 0.478261 0.755556
41 GAL NGA 0.478261 0.755556
42 A2G GAL 0.478261 0.755556
43 GAL FUC 0.476923 0.970588
44 GLC FUC GAL FUC A2G 0.476744 0.723404
45 BGC FUC GAL FUC A2G 0.476744 0.723404
46 A2G GAL BGC FUC 0.471264 0.73913
47 GLC BGC BGC BGC BGC BGC BGC 0.469697 0.970588
48 BGC BGC BGC GLC BGC BGC 0.469697 0.970588
49 MDM 0.46875 0.971429
50 M13 0.46875 0.971429
51 GAL MBG 0.46875 0.971429
52 NAG FUC 0.464789 0.695652
53 FUC GAL NDG 0.461538 0.73913
54 DR2 0.461538 0.73913
55 FUL GAL NAG 0.461538 0.73913
56 GAL NAG FUC 0.461538 0.73913
57 FUC GAL NAG 0.461538 0.73913
58 NDG GAL FUC 0.461538 0.73913
59 NAG GAL FUC 0.461538 0.73913
60 XYS GAL FUC 0.460526 0.971429
61 BMA GAL 0.460317 0.970588
62 N9S 0.460317 0.970588
63 CBK 0.460317 0.970588
64 CBI 0.460317 0.970588
65 MAB 0.460317 0.970588
66 LAT 0.460317 0.970588
67 GLC GAL 0.460317 0.970588
68 B2G 0.460317 0.970588
69 BGC GAL 0.460317 0.970588
70 BGC BMA 0.460317 0.970588
71 GLA GAL 0.460317 0.970588
72 GAL BGC 0.460317 0.970588
73 LBT 0.460317 0.970588
74 MAL 0.460317 0.970588
75 GLA GLA 0.460317 0.970588
76 BQZ 0.457627 0.882353
77 BMA MAN MAN MAN 0.457143 0.970588
78 A2G GAL NAG FUC 0.454545 0.693878
79 FUC GAL NAG A2G 0.454545 0.693878
80 TRE 0.454545 0.970588
81 FUC BHG 0.453333 0.790698
82 BHG FUC 0.453333 0.790698
83 4YA 0.453333 0.790698
84 MAN MAN MAN GLC 0.452055 0.970588
85 FUC NAG GLA GAL 0.448276 0.723404
86 FUC NAG GAL FUC 0.444444 0.723404
87 FUC GAL NAG FUC 0.444444 0.723404
88 FUC GAL NAG A2G FUC 0.444444 0.693878
89 FUC NDG GAL FUC 0.444444 0.723404
90 FUC GAL NDG FUC 0.444444 0.723404
91 GAL NDG FUC FUC 0.444444 0.723404
92 BDZ 0.444444 0.723404
93 NAG GAL FUC FUC A2G 0.444444 0.693878
94 GAL NAG FUC FUC 0.444444 0.723404
95 GLA MBG 0.444444 0.971429
96 BCW 0.444444 0.723404
97 BHE 0.441558 0.790698
98 GLA MMA ABE 0.441558 0.894737
99 DOM 0.439394 0.916667
100 BGC BGC 0.439394 0.888889
101 BMA BMA 0.439394 0.888889
102 GAL NDG 0.43662 0.755556
103 NLC 0.43662 0.755556
104 GAL MGC 0.43662 0.723404
105 NDG GAL 0.43662 0.755556
106 U63 0.432836 0.868421
107 GLC BGC BGC BGC BGC 0.432836 0.970588
108 BGC BGC GLC 0.432836 0.970588
109 GLA GAL BGC 0.432836 0.970588
110 MLR 0.432836 0.970588
111 BMA MAN BMA 0.432836 0.970588
112 CTR 0.432836 0.970588
113 BMA BMA BMA 0.432836 0.970588
114 MAN BMA BMA 0.432836 0.970588
115 MTT 0.432836 0.970588
116 BMA BMA BMA BMA BMA 0.432836 0.970588
117 MAN BMA BMA BMA BMA 0.432836 0.970588
118 MAN MAN BMA BMA BMA BMA 0.432836 0.970588
119 BGC BGC BGC GLC 0.432836 0.970588
120 CE5 0.432836 0.970588
121 CE6 0.432836 0.970588
122 BGC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
123 MT7 0.432836 0.970588
124 BGC BGC BGC BGC BGC 0.432836 0.970588
125 GLC GLC GLC GLC GLC 0.432836 0.970588
126 GLC GAL GAL 0.432836 0.970588
127 GLC BGC BGC BGC BGC BGC 0.432836 0.970588
128 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.432836 0.970588
129 BGC GLC GLC 0.432836 0.970588
130 CEX 0.432836 0.970588
131 GLC BGC BGC BGC 0.432836 0.970588
132 BGC BGC BGC 0.432836 0.970588
133 CTT 0.432836 0.970588
134 BGC BGC BGC BGC 0.432836 0.970588
135 GLC BGC BGC 0.432836 0.970588
136 BGC BGC BGC BGC BGC BGC 0.432836 0.970588
137 BGC GLC GLC GLC 0.432836 0.970588
138 B4G 0.432836 0.970588
139 BGC GLC GLC GLC GLC 0.432836 0.970588
140 CE8 0.432836 0.970588
141 CEY 0.432836 0.970588
142 CT3 0.432836 0.970588
143 GLA GAL GLC 0.432836 0.970588
144 GLC BGC GLC 0.432836 0.970588
145 GAL GAL GAL 0.432836 0.970588
146 DXI 0.432836 0.970588
147 GLC GLC BGC 0.432836 0.970588
148 MAN BMA BMA BMA BMA BMA 0.432836 0.970588
149 BMA BMA BMA BMA BMA BMA 0.432836 0.970588
150 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
151 FUC GAL NAG GAL FUC 0.431818 0.723404
152 MAN BMA MAN 0.430556 0.970588
153 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.430108 0.68
154 CGC 0.428571 0.914286
155 GLA EGA 0.426471 0.971429
156 GLC GAL NAG GAL FUC A2G 0.424242 0.693878
157 MMA MAN 0.424242 0.971429
158 A2G GAL NAG FUC GAL GLC 0.424242 0.693878
159 DR5 0.424242 0.971429
160 FUC GAL NAG GAL BGC 0.423913 0.73913
161 GAL GLC NAG GAL FUC 0.423913 0.73913
162 GLC NAG GAL GAL FUC 0.423913 0.73913
163 GLA GAL GAL 0.422535 0.970588
164 LAT GLA 0.421875 0.970588
165 GAL GAL SO4 0.418919 0.647059
166 BGA 0.417582 0.618182
167 GAL NAG MAN 0.4125 0.755556
168 ABD 0.406977 0.772727
169 BGC GAL NAG GAL FUC FUC 0.40625 0.723404
170 GLC GAL NAG GAL FUC FUC 0.40625 0.723404
171 AIG FUC 0.405063 0.653846
172 GLA GAL NAG 0.405063 0.755556
173 MAN BMA NAG 0.405063 0.755556
174 NAG A2G GAL 0.404762 0.708333
175 RZM 0.402985 0.673913
176 T6P 0.402985 0.75
177 MAN MAN BMA MAN 0.402597 0.970588
178 GAL LOG 0.402597 0.607143
179 MAN MAN MAN MAN 0.402597 0.970588
180 BGC OXZ 0.4 0.653061
181 BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.970588
182 NAG BMA 0.4 0.673469
183 BMA MAN MAN MAN MAN 0.4 0.970588
Ligand no: 2; Ligand: FUC GAL GLA; Similar ligands found: 183
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA FUC 1 1
2 FUC GLA GLA 1 1
3 GLA GAL FUC 1 1
4 FUC GAL GLA 1 1
5 GAL GAL FUC 1 1
6 NGA GAL FUC 0.691176 0.73913
7 A2G GAL FUC 0.691176 0.73913
8 FUC GLA A2G 0.691176 0.73913
9 A2G GLA FUC 0.691176 0.73913
10 FUC GAL A2G 0.691176 0.73913
11 FUC GAL NGA 0.671429 0.708333
12 FUC BGC GAL 0.666667 1
13 GLA MAN ABE 0.656716 0.944444
14 FUC GAL 0.627119 0.970588
15 BGC GLA GAL FUC 0.619718 1
16 BGB 0.56 0.790698
17 GAL NDG FUC 0.547945 0.73913
18 FUC NDG GAL 0.547945 0.73913
19 2M4 0.542373 0.970588
20 FUC NAG GAL 0.533333 0.68
21 LAT FUC 0.528571 1
22 GLC GAL FUC 0.528571 1
23 8B7 0.528571 1
24 BGC GAL FUC 0.528571 1
25 FUC GAL GLC 0.528571 1
26 GAL NAG GAL FUC 0.525 0.73913
27 GLA NAG GAL FUC 0.525 0.73913
28 LB2 0.508197 0.970588
29 NGR 0.508197 0.970588
30 MAN GLC 0.508197 0.970588
31 M3M 0.508197 0.970588
32 MAG FUC GAL 0.506667 0.708333
33 DR3 0.493506 0.73913
34 BMA BMA MAN 0.484848 0.970588
35 MAN MAN BMA 0.484848 0.970588
36 FUC BGC GAL NAG GAL 0.483146 0.73913
37 FUC BGC GAL NAG 0.482353 0.73913
38 FUC NAG 0.479452 0.66
39 GLA GAL NAG FUC GAL GLC 0.478261 0.73913
40 GAL A2G 0.478261 0.755556
41 GAL NGA 0.478261 0.755556
42 A2G GAL 0.478261 0.755556
43 GAL FUC 0.476923 0.970588
44 GLC FUC GAL FUC A2G 0.476744 0.723404
45 BGC FUC GAL FUC A2G 0.476744 0.723404
46 A2G GAL BGC FUC 0.471264 0.73913
47 GLC BGC BGC BGC BGC BGC BGC 0.469697 0.970588
48 BGC BGC BGC GLC BGC BGC 0.469697 0.970588
49 MDM 0.46875 0.971429
50 M13 0.46875 0.971429
51 GAL MBG 0.46875 0.971429
52 NAG FUC 0.464789 0.695652
53 FUC GAL NDG 0.461538 0.73913
54 DR2 0.461538 0.73913
55 FUL GAL NAG 0.461538 0.73913
56 GAL NAG FUC 0.461538 0.73913
57 FUC GAL NAG 0.461538 0.73913
58 NDG GAL FUC 0.461538 0.73913
59 NAG GAL FUC 0.461538 0.73913
60 XYS GAL FUC 0.460526 0.971429
61 BMA GAL 0.460317 0.970588
62 N9S 0.460317 0.970588
63 CBK 0.460317 0.970588
64 CBI 0.460317 0.970588
65 MAB 0.460317 0.970588
66 LAT 0.460317 0.970588
67 GLC GAL 0.460317 0.970588
68 B2G 0.460317 0.970588
69 BGC GAL 0.460317 0.970588
70 BGC BMA 0.460317 0.970588
71 GLA GAL 0.460317 0.970588
72 GAL BGC 0.460317 0.970588
73 LBT 0.460317 0.970588
74 MAL 0.460317 0.970588
75 GLA GLA 0.460317 0.970588
76 BQZ 0.457627 0.882353
77 BMA MAN MAN MAN 0.457143 0.970588
78 A2G GAL NAG FUC 0.454545 0.693878
79 FUC GAL NAG A2G 0.454545 0.693878
80 TRE 0.454545 0.970588
81 FUC BHG 0.453333 0.790698
82 BHG FUC 0.453333 0.790698
83 4YA 0.453333 0.790698
84 MAN MAN MAN GLC 0.452055 0.970588
85 FUC NAG GLA GAL 0.448276 0.723404
86 FUC NAG GAL FUC 0.444444 0.723404
87 FUC GAL NAG FUC 0.444444 0.723404
88 FUC GAL NAG A2G FUC 0.444444 0.693878
89 FUC NDG GAL FUC 0.444444 0.723404
90 FUC GAL NDG FUC 0.444444 0.723404
91 GAL NDG FUC FUC 0.444444 0.723404
92 BDZ 0.444444 0.723404
93 NAG GAL FUC FUC A2G 0.444444 0.693878
94 GAL NAG FUC FUC 0.444444 0.723404
95 GLA MBG 0.444444 0.971429
96 BCW 0.444444 0.723404
97 BHE 0.441558 0.790698
98 GLA MMA ABE 0.441558 0.894737
99 DOM 0.439394 0.916667
100 BGC BGC 0.439394 0.888889
101 BMA BMA 0.439394 0.888889
102 GAL NDG 0.43662 0.755556
103 NLC 0.43662 0.755556
104 GAL MGC 0.43662 0.723404
105 NDG GAL 0.43662 0.755556
106 U63 0.432836 0.868421
107 GLC BGC BGC BGC BGC 0.432836 0.970588
108 BGC BGC GLC 0.432836 0.970588
109 GLA GAL BGC 0.432836 0.970588
110 MLR 0.432836 0.970588
111 BMA MAN BMA 0.432836 0.970588
112 CTR 0.432836 0.970588
113 BMA BMA BMA 0.432836 0.970588
114 MAN BMA BMA 0.432836 0.970588
115 MTT 0.432836 0.970588
116 BMA BMA BMA BMA BMA 0.432836 0.970588
117 MAN BMA BMA BMA BMA 0.432836 0.970588
118 MAN MAN BMA BMA BMA BMA 0.432836 0.970588
119 BGC BGC BGC GLC 0.432836 0.970588
120 CE5 0.432836 0.970588
121 CE6 0.432836 0.970588
122 BGC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
123 MT7 0.432836 0.970588
124 BGC BGC BGC BGC BGC 0.432836 0.970588
125 GLC GLC GLC GLC GLC 0.432836 0.970588
126 GLC GAL GAL 0.432836 0.970588
127 GLC BGC BGC BGC BGC BGC 0.432836 0.970588
128 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.432836 0.970588
129 BGC GLC GLC 0.432836 0.970588
130 CEX 0.432836 0.970588
131 GLC BGC BGC BGC 0.432836 0.970588
132 BGC BGC BGC 0.432836 0.970588
133 CTT 0.432836 0.970588
134 BGC BGC BGC BGC 0.432836 0.970588
135 GLC BGC BGC 0.432836 0.970588
136 BGC BGC BGC BGC BGC BGC 0.432836 0.970588
137 BGC GLC GLC GLC 0.432836 0.970588
138 B4G 0.432836 0.970588
139 BGC GLC GLC GLC GLC 0.432836 0.970588
140 CE8 0.432836 0.970588
141 CEY 0.432836 0.970588
142 CT3 0.432836 0.970588
143 GLA GAL GLC 0.432836 0.970588
144 GLC BGC GLC 0.432836 0.970588
145 GAL GAL GAL 0.432836 0.970588
146 DXI 0.432836 0.970588
147 GLC GLC BGC 0.432836 0.970588
148 MAN BMA BMA BMA BMA BMA 0.432836 0.970588
149 BMA BMA BMA BMA BMA BMA 0.432836 0.970588
150 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.432836 0.970588
151 FUC GAL NAG GAL FUC 0.431818 0.723404
152 MAN BMA MAN 0.430556 0.970588
153 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.430108 0.68
154 CGC 0.428571 0.914286
155 GLA EGA 0.426471 0.971429
156 GLC GAL NAG GAL FUC A2G 0.424242 0.693878
157 MMA MAN 0.424242 0.971429
158 A2G GAL NAG FUC GAL GLC 0.424242 0.693878
159 DR5 0.424242 0.971429
160 FUC GAL NAG GAL BGC 0.423913 0.73913
161 GAL GLC NAG GAL FUC 0.423913 0.73913
162 GLC NAG GAL GAL FUC 0.423913 0.73913
163 GLA GAL GAL 0.422535 0.970588
164 LAT GLA 0.421875 0.970588
165 GAL GAL SO4 0.418919 0.647059
166 BGA 0.417582 0.618182
167 GAL NAG MAN 0.4125 0.755556
168 ABD 0.406977 0.772727
169 BGC GAL NAG GAL FUC FUC 0.40625 0.723404
170 GLC GAL NAG GAL FUC FUC 0.40625 0.723404
171 AIG FUC 0.405063 0.653846
172 GLA GAL NAG 0.405063 0.755556
173 MAN BMA NAG 0.405063 0.755556
174 NAG A2G GAL 0.404762 0.708333
175 RZM 0.402985 0.673913
176 T6P 0.402985 0.75
177 MAN MAN BMA MAN 0.402597 0.970588
178 GAL LOG 0.402597 0.607143
179 MAN MAN MAN MAN 0.402597 0.970588
180 BGC OXZ 0.4 0.653061
181 BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.970588
182 NAG BMA 0.4 0.673469
183 BMA MAN MAN MAN MAN 0.4 0.970588
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D63; Ligand: FUC GLA GLA; Similar sites found with APoc: 136
This union binding pocket(no: 1) in the query (biounit: 5d63.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1KAO GDP None
2 1V47 ADX 1.02389
3 3T2C 13P 1.36519
4 5N5U 7N8 1.36519
5 1H2B NAJ 1.36519
6 4KS7 X4Z 1.36986
7 3KMZ EQO 1.50376
8 2Q1W NAD 1.70648
9 3V1Y NAD 1.70648
10 1WOG 16D 1.70648
11 6DNT NAD 1.74419
12 4DDY DN6 1.90114
13 3TTC ADP 2.04778
14 5XDT MB3 2.04778
15 4CL6 7SB 2.33918
16 3LU1 NAD 2.38908
17 1P0F NAP 2.38908
18 4JWH SAH 2.38908
19 4BGB ADP 2.38908
20 1E5F PLP 2.38908
21 5KF6 TFB 2.42915
22 5KF6 FAD 2.42915
23 4C0X FMN 2.46305
24 3WGT FAD 2.73038
25 3WGT QSC 2.73038
26 2PZM UDP 2.73038
27 2PZM NAD 2.73038
28 1ZBQ NAD 2.73038
29 3HAZ FAD 2.73038
30 4QYS PLR 2.73038
31 5GVH FMN 2.73038
32 1NJR XYL 2.8169
33 5T9F NAP 2.95203
34 4L50 D8X 3.00752
35 4GLW NMN 3.07167
36 3O84 HTJ 3.07167
37 5TUK FAD 3.07167
38 1NE7 AGP 3.11419
39 2ZEJ GDP 3.26087
40 4ZQX ATP 3.37553
41 2B4R AES 3.41297
42 2B4R NAD 3.41297
43 3P9Y N7P THR SEP PRO SER TYR SET 3.53535
44 1OBV FMN 3.5503
45 5UIU 8CG 3.75427
46 1G51 AMO 3.75427
47 2V1O COA 3.97351
48 5MQW ATP 4.03226
49 5MQW GTP 4.03226
50 6AR9 3L4 4.04412
51 4LTN FMN 4.06091
52 4LTN NAI 4.06091
53 4ZLU 4PW 4.09556
54 5WJ6 B4A 4.09556
55 1PJS SAH 4.09556
56 4ZLU ADP 4.09556
57 1HSK FAD 4.09556
58 5XHA FRU 4.09556
59 3MMG GLU THR VAL ARG PHE GLN SER ASP 4.14938
60 3CGB FAD 4.16667
61 1WD4 AHR 4.43686
62 3B20 NAD 4.43686
63 2D2I NAP 4.43686
64 3AKI AH8 4.43686
65 3AJ6 NGA 4.54545
66 3BJK CIT 4.57516
67 5WPJ NDP 4.77816
68 5BVE 4VG 4.77816
69 5W4W 9WG 4.77816
70 5AHO TLA 4.77816
71 2I8T GDD 4.79042
72 2WCV FUC 5
73 2BW7 ECS 5.02283
74 5HDJ FMN 5.05837
75 5LXT GTP 5.11945
76 2NVK NAP 5.11945
77 3RYC GTP 5.11945
78 4PTZ FMN 5.2356
79 5N1P 8GK 5.33981
80 3P8N L4T 5.37634
81 4QVX 3CQ 5.38922
82 6CI9 NAP 5.40541
83 2RFZ CTR 5.46075
84 1O5Q PYR 5.46075
85 5T2U NAP 5.64516
86 3U2U UDP 5.70342
87 1BVY FMN 5.75916
88 2WR8 SAH 5.79151
89 3FJO FMN 5.80205
90 6C0T EE4 5.80205
91 2OZ5 7XY 6.08108
92 2FAV APR 6.11111
93 2YBQ UP2 6.14334
94 2YBQ SAH 6.14334
95 5VN0 FAD 6.14334
96 3PVW QRX 6.14334
97 1JXZ BCA 6.3197
98 4C2C ALA VAL PRO ALA 6.48464
99 4MO4 ACP 6.48464
100 6BWL NAD 6.48464
101 5DEP UD1 6.58915
102 4AF0 IMP 6.82594
103 1BC5 SAH 7.0632
104 5ZFI 9C9 7.14286
105 4ZGR NGA GAL 7.28745
106 3TAY MN0 7.36196
107 6EDK 1YA 7.37327
108 5FAH 5VT 8.03571
109 4YFY 1YJ 8.66142
110 5EIB GTP 8.87574
111 5F05 GSH 8.96226
112 4ZEV M6P 9.21502
113 2Z9C DTC 9.5
114 5BYK A3P 9.65251
115 5BYK OAQ 9.65251
116 6H39 FGY 10.2041
117 4OUJ LBT 10.2389
118 1NV8 SAM 10.9155
119 1NV8 MEQ 10.9155
120 4LO2 GAL BGC 10.9215
121 3AB1 FAD 11.2628
122 1H5T TYD 11.2628
123 3A6T 8OG 11.6279
124 5DUS APR 11.9048
125 3SDV 911 12.2867
126 1JUV NDP 12.9534
127 1RM6 PCD 14.9068
128 5TIV A3P 15.0198
129 3A23 GAL 16.7235
130 2X2T GAL NGA 16.9935
131 2D24 XYS XYS 17.0648
132 4D9C PMP 20.4778
133 2VUT NAD 23.2558
134 4G9N NGA 27.2727
135 4OWK NGA 36.2319
136 1KNM LAT 45.3846
Pocket No.: 2; Query (leader) PDB : 5D63; Ligand: FUC GAL GLA; Similar sites found with APoc: 131
This union binding pocket(no: 2) in the query (biounit: 5d63.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1KAO GDP None
2 3MHP FAD 1.70648
3 1ME8 RVP 1.70648
4 1QFY NAP 1.70648
5 1QFY FAD 1.70648
6 4DDY DN6 1.90114
7 5FA6 FAD 2.04778
8 5FA6 NAP 2.04778
9 5FA6 FMN 2.04778
10 1F20 FAD 2.04778
11 3VO1 FAD 2.04778
12 5UAV TFB 2.04778
13 5UAV NDP 2.04778
14 5W6Y TRP 2.04778
15 3ABI NAD 2.04778
16 1EWY FAD 2.38908
17 2YG3 FAD 2.38908
18 4WBD CIT 2.38908
19 6CEP NAD 2.38908
20 4WQM FAD 2.38908
21 2IXB A2G 2.38908
22 1SM4 FAD 2.38908
23 1UM0 FMN 2.38908
24 5H5J FAD 2.73038
25 5VW2 FDA 2.73038
26 5VW2 NAP 2.73038
27 5CCM SAM 2.73038
28 5CCM 4ZX 2.73038
29 1U1I NAD 2.73038
30 3CV3 UDP 2.73038
31 1SDW IYT 2.73038
32 4DPL NAP 2.73038
33 1H7F C5P 2.85714
34 5NC1 NAG 2.95359
35 1P7T PYR 3.07167
36 5OGX FAD 3.07167
37 4GLW NMN 3.07167
38 1OIV GDP 3.14136
39 2WBV SIA 3.1746
40 4GNC ASO 3.41297
41 1Z45 NAD 3.41297
42 4D0G GTP 3.42857
43 1DDG FAD 3.75427
44 4U9U FAD 3.91459
45 3DWQ NGC GAL NGA POL AZI 3.96825
46 2V1O COA 3.97351
47 5MQW GTP 4.03226
48 5MQW ATP 4.03226
49 5XHA FRU 4.09556
50 1PJS SAH 4.09556
51 1NVM NAD 4.09556
52 2XI7 XI7 4.34783
53 1WD4 AHR 4.43686
54 3OZV FAD 4.43686
55 1Q0H FOM 4.43686
56 1Q0H NDP 4.43686
57 3OZV ECN 4.43686
58 3AKI AH8 4.43686
59 3CV2 OXL 4.43686
60 5J6C FMN 4.47761
61 3AJ6 NGA 4.54545
62 3MKN DNB 4.77816
63 1ZH8 NAP 4.77816
64 1GAW FAD 4.77816
65 2I8T GDD 4.79042
66 4B4D FAD 4.96183
67 2BW7 ECS 5.02283
68 5GXU FAD 5.11945
69 1RM0 D6P 5.11945
70 1RM0 NAI 5.11945
71 3RYC GTP 5.11945
72 4LNU GTP 5.11945
73 5XQL C2E 5.15464
74 1GR0 NAD 5.46075
75 1D8C GLV 5.46075
76 3QWI CUE 5.55556
77 2WR8 SAH 5.79151
78 3QFS FAD 5.80205
79 1TLL FAD 5.80205
80 3FJO FAD 5.80205
81 1ZD9 GDP 5.85106
82 2YBQ UP2 6.14334
83 2YBQ SAH 6.14334
84 4ZUL UN1 6.14334
85 5VN0 NAI 6.14334
86 1I36 NAP 6.43939
87 1FUR MLT 6.48464
88 4C2C ALA VAL PRO ALA 6.48464
89 6BWL NAD 6.48464
90 4MO4 ACP 6.48464
91 5DEP UD1 6.58915
92 1NB9 RBF 6.80272
93 1NB9 ADP 6.80272
94 1B4P GPS 6.91244
95 3AJ4 SEP 7.14286
96 2HBL AMP 7.16724
97 2RC5 FAD 7.16724
98 4ZGR NGA GAL 7.28745
99 5A89 FMN 7.69231
100 5A89 ADP 7.69231
101 1KRH FAD 7.84983
102 3JQQ FAD 8.19113
103 3JQQ A2P 8.19113
104 4YHB FAD 8.42491
105 5BSH PRO 8.66426
106 5EIB GTP 8.87574
107 1YRO UDP 8.94309
108 1UPF URF 9.375
109 5ITZ GTP 9.44882
110 1UY4 XYP XYP XYP XYP 9.65517
111 1FWV SGA MAG FUC 9.70149
112 5IDB MAN 9.85915
113 5IDB BMA 9.85915
114 4TL6 ANP 9.88142
115 1EP2 FAD 9.96169
116 4OUJ LBT 10.2389
117 5HW4 SAM 10.8871
118 4LO2 GAL BGC 10.9215
119 2G30 ALA ALA PHE 11.2403
120 3A6T 8OG 11.6279
121 5UAO FAD 11.6451
122 1JUV NDP 12.9534
123 4DQL FAD 15.6997
124 4DQL NAP 15.6997
125 6C6O ENG 16.3823
126 3A23 GAL 16.7235
127 2X2T GAL NGA 16.9935
128 2D24 XYS XYS 17.0648
129 4G9N NGA 27.2727
130 4OWK NGA 36.2319
131 1KNM LAT 45.3846
Pocket No.: 3; Query (leader) PDB : 5D63; Ligand: FUC GLA GLA; Similar sites found with APoc: 76
This union binding pocket(no: 3) in the query (biounit: 5d63.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5FSY AR6 1.50376
2 3N2S FMN 1.60643
3 4A22 TD4 1.70648
4 4MO2 FDA 2.04778
5 2Q6K ADN 2.12014
6 1QPG MAP 2.38908
7 3S5W NAP 2.38908
8 1GQ2 NAP 2.38908
9 1HYH NAD 2.38908
10 2WTN FER 2.39044
11 4NBU CAA 2.4
12 5I3B HQE 2.43902
13 4ONC 40B 2.46479
14 3PFD FDA 2.73038
15 3CV3 UDP 2.73038
16 3V8S 0HD 2.73038
17 4NBI D3Y 3.04878
18 6A1G 9OL 3.07167
19 4I53 1C1 3.07167
20 1RO7 CSF 3.0888
21 1B1C FMN 3.31492
22 1RC0 KT5 3.34928
23 1Z45 NAD 3.41297
24 2X6T NAP 3.41297
25 2PHN GDP 3.54331
26 1BKJ FMN 3.75
27 2JLD AG1 3.75427
28 6DIO NAD 3.75427
29 2NU8 COA 3.81944
30 2WZV FMN 3.82979
31 5HZX 2GE 3.97727
32 3ZLB ANP 4.09556
33 4IQY AR6 4.16667
34 5NJI 8Z2 4.43686
35 3KFL ME8 4.43686
36 5J6C FMN 4.47761
37 4MP8 MLI 4.77816
38 4MP8 NAD 4.77816
39 5O96 SAM 4.89796
40 3CIF G3H 5.11945
41 5GXU FMN 5.11945
42 4LNU GTP 5.11945
43 1AG9 FMN 5.14286
44 2B8T THM 5.38117
45 2RG0 CTT 5.46075
46 5MW4 5JU 5.46075
47 3TLJ SAH 5.63003
48 4UBT COA 5.76441
49 1TLL FMN 5.80205
50 6CUZ FEV 5.80205
51 1BXG NAD 6.14334
52 5V49 MET 6.14334
53 4HEQ FMN 6.16438
54 4O33 3PG 6.82594
55 4O33 TZN 6.82594
56 2V7T SAH 6.82594
57 4AZ3 S35 7.09677
58 3HP8 SUC 7.27273
59 1CZR FMN 7.69231
60 3HIY UTP 7.84983
61 5UQW GDP 7.93651
62 5VJE GOS 8.53242
63 1VQ2 DDN 8.80829
64 2QV6 GTP 8.95522
65 6EHH 2GE 9.09091
66 5ITZ GTP 9.44882
67 2Z9C FMN 9.5
68 1U2Z SAH 9.55631
69 2NAD NAD 10.5802
70 6BSX GDP 11.7978
71 6B2M COA 11.8881
72 3MWS 017 12.1212
73 4NJS G08 12.1212
74 4GAH 0ET 12.4402
75 1UKW FAD 12.628
76 4ZY1 4U5 13.3106
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