-->
Receptor
PDB id Resolution Class Description Source Keywords
4OIT 2.24 Å NON-ENZYME: BINDING STRUCTURE, INTERACTIONS AND EVOLUTIONARY IMPLICATIONS OF A D SWAPPED LECTIN DIMER FROM MYCOBACTERIUM SMEGMATIS MYCOBACTERIUM SMEGMATIS BETA-PRISM II FOLD BACTERIAL LECTIN PROTEIN-CARBOHYDRATE INTERACTIONS BETA-PRISM II CARBOHYDRATE BINDING CARBOHYDRATE/SUGAR SUGAR BINDING PROTEIN
Ref.: STRUCTURE, INTERACTIONS AND EVOLUTIONARY IMPLICATIO DOMAIN-SWAPPED LECTIN DIMER FROM MYCOBACTERIUM SMEG GLYCOBIOLOGY 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN D:202;
B:201;
A:201;
D:203;
C:203;
A:202;
A:203;
D:201;
C:201;
C:202;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Ka = 32.5 M^-1
180.156 C6 H12 O6 C([C@...
BMA B:202;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OIT 2.24 Å NON-ENZYME: BINDING STRUCTURE, INTERACTIONS AND EVOLUTIONARY IMPLICATIONS OF A D SWAPPED LECTIN DIMER FROM MYCOBACTERIUM SMEGMATIS MYCOBACTERIUM SMEGMATIS BETA-PRISM II FOLD BACTERIAL LECTIN PROTEIN-CARBOHYDRATE INTERACTIONS BETA-PRISM II CARBOHYDRATE BINDING CARBOHYDRATE/SUGAR SUGAR BINDING PROTEIN
Ref.: STRUCTURE, INTERACTIONS AND EVOLUTIONARY IMPLICATIO DOMAIN-SWAPPED LECTIN DIMER FROM MYCOBACTERIUM SMEG GLYCOBIOLOGY 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4OIT Ka = 32.5 M^-1 MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4OIT Ka = 32.5 M^-1 MAN C6 H12 O6 C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3A0D - MMA C7 H14 O6 CO[C@@H]1[....
2 3A0E - M3M C12 H22 O11 C([C@@H]1[....
3 4OIT Ka = 32.5 M^-1 MAN C6 H12 O6 C([C@@H]1[....
4 1MSA - MMA C7 H14 O6 CO[C@@H]1[....
5 1JPC - MAN MAN n/a n/a
6 1NPL Kd = 2 mM MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: BMA; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 4oit.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2CSN CKI None
2 5OO5 UUA None
3 3IS2 FAD None
4 3D72 FAD None
5 1EWJ BLM None
6 4BVM PLM 2.65487
7 4BVM VCA 2.65487
8 3T64 DU3 2.65487
9 1N5S ADL 2.67857
10 4R38 RBF 2.85714
11 2WXD E18 3.53982
12 1TT8 PHB 3.53982
13 2DIO EOD 3.53982
14 3T50 FMN 4.42478
15 5HV0 AKG 4.42478
16 6FE1 V14 4.42478
17 2ZRU FMN 4.42478
18 2QQ0 ADP 4.42478
19 2QQ0 TMP 4.42478
20 3ETH ATP 4.42478
21 2PVN P63 4.42478
22 2Q0D ATP 5.30973
23 4ZCC FAD 5.30973
24 4ZCC NAI 5.30973
25 2WR8 SAH 5.30973
26 5U98 1KX 5.30973
27 5HA0 LTD 6.19469
28 4QXB OGA 6.19469
29 4UWJ MYA 6.19469
30 4UWJ 7L5 6.19469
31 3N0Y APC 7.07965
32 4ZDC CO8 7.07965
33 2JIG PD2 7.07965
34 1OGX EQU 7.07965
35 1T90 NAD 7.07965
36 2Q4H AMP 7.9646
37 5FLJ QUE 7.9646
38 2NSX IFM 7.9646
39 6GZD LCI 8.84956
40 2Z6D FMN 8.84956
41 5ZM4 9FU 8.84956
42 5ZM4 AKG 8.84956
43 2YNE YNE 9.73451
44 2YNE NHW 9.73451
45 1FLR FLU 10.6195
46 1UJP CIT 10.6195
47 3B1Q NOS 10.6195
48 6EHH 2GE 10.6195
49 4WUP 3UF 12.3894
50 5A65 TPP 12.3894
51 3S5Y DGJ 12.3894
52 3P7N FMN 13.2743
53 6CCU PRO HIS ARG VAL 14.1593
54 3OYZ ACO 15.0442
55 5I8T LAC 17.6991
56 5LDQ NAP 30.9735
57 4LED XXR 35.3982
58 4GC1 MAN MAN 47.7876
Pocket No.: 2; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 4oit.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1S20 NAD 2.65487
2 3GZ8 APR 4.42478
3 5GP7 SER LEU SER ARG THR PRO ALA ASP GLY ARG 4.42478
4 5KBZ 3B2 4.77454
5 1TKK ALA GLU 5.30973
6 4XCZ T3Q 6.19469
7 5UY8 AMZ 6.19469
8 5UY8 8UM 6.19469
9 2GVJ DGB 7.07965
10 5YAK FMN 8.84956
11 3K4Z CBI 8.84956
12 4UMX VVS 11.5044
13 4UMX NAP 11.5044
14 1YKD CMP 11.5044
15 2ARC ARA 11.5044
16 5NEA 8V8 12.3894
17 3W8X FAD 15.9292
18 5UIJ TYD 17.6991
19 6C02 APC 23.0089
20 4B1M FRU FRU 31.8584
Pocket No.: 3; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 59
This union binding pocket(no: 3) in the query (biounit: 4oit.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1B PAX None
2 3A5Y KAA None
3 1RKD ADP None
4 1RKD RIB None
5 4H6B 10X None
6 3LOO B4P 1.76991
7 3VBK 0FX 1.76991
8 3VBK COA 1.76991
9 1JJE BYS 3.53982
10 2GQ2 NAP 4.42478
11 5MZI FAD 4.42478
12 5MZI FYK 4.42478
13 4P42 PEE 4.42478
14 5W3Y ACO 5.30973
15 1Q79 3AT 5.30973
16 6GG9 FMN 5.30973
17 3FQ8 PMP 5.30973
18 3A1C ACP 5.30973
19 6C4A PYR 5.30973
20 2GVV DI9 5.30973
21 5NW7 9C2 5.30973
22 2ZO9 MLI 5.47445
23 5DNL 5DL 6.19469
24 3NW7 LGV 6.19469
25 2CHN NGT 6.19469
26 2YBQ UP2 6.19469
27 3EKK GS2 6.19469
28 2Z6C FMN 6.20155
29 1KC7 PPR 7.07965
30 5A89 FMN 7.07965
31 5A89 ADP 7.07965
32 5IXG OTP 7.07965
33 2I6A 5I5 7.9646
34 2F57 23D 7.9646
35 3IB8 AMP 8.84956
36 1OJK GLC BGC 8.84956
37 1OJJ GLC GAL 8.84956
38 1N9L FMN 9.17431
39 2XZ9 PYR 9.73451
40 4BQ4 AAL GAL AAL GAL 9.73451
41 4J36 FAD 9.73451
42 2VYT MLZ 9.73451
43 1OGZ EQU 9.73451
44 6C1S EFV 9.73451
45 5IHE D5M 9.73451
46 1XG4 ICT 10.6195
47 6F30 UD1 11.5044
48 2QPU QPS 11.5044
49 2QPU QPU 11.5044
50 4GCZ FMN 12.3894
51 2PR5 FMN 13.2743
52 1DY4 SNP 13.2743
53 5V59 8X1 13.2743
54 1T66 FLU 14.1593
55 4MNS 2AX 14.1593
56 5FPX GLY SER SER HIS HIS HIS HIS HIS 15.9292
57 2RFZ CTR 21.2389
58 3OTX AP5 21.2389
59 6MPT C30 24.7788
Pocket No.: 4; Query (leader) PDB : 4OIT; Ligand: BMA; Similar sites found with APoc: 66
This union binding pocket(no: 4) in the query (biounit: 4oit.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1EWJ BLM None
2 3IS2 FAD None
3 3D72 FAD None
4 4H6B 10X None
5 1U1B PAX None
6 3VBK 0FX 1.76991
7 3VBK COA 1.76991
8 1NFS DED 1.76991
9 4BVM PLM 2.65487
10 4BVM VCA 2.65487
11 2DIO EOD 3.53982
12 3ICS COA 3.53982
13 3ANY 2A3 3.53982
14 5W0N UPU 3.53982
15 1DE6 RNS 3.53982
16 3T50 FMN 4.42478
17 2GQ2 NAP 4.42478
18 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 4.42478
19 5MZI FAD 4.42478
20 5MZI FYK 4.42478
21 2Q0D ATP 5.30973
22 2WR8 SAH 5.30973
23 5W3Y ACO 5.30973
24 3FQ8 PMP 5.30973
25 6C4A PYR 5.30973
26 3AI3 SOL 5.30973
27 6GG9 FMN 5.30973
28 2CYE COA 5.30973
29 3RL3 5GP 5.30973
30 2ZO9 MLI 5.47445
31 1EWF PC1 6.19469
32 5DNL 5DL 6.19469
33 2Z7R STU 6.19469
34 5SVV FMN 6.19469
35 1KC7 PPR 7.07965
36 1OGX EQU 7.07965
37 3RGA LSB 7.07965
38 5FLJ QUE 7.9646
39 3K4Z CBI 8.84956
40 3IB8 AMP 8.84956
41 2Z6D FMN 8.84956
42 4QPL V3L 8.84956
43 2OVW CBI 8.84956
44 2XZ9 PYR 9.73451
45 4BQ4 AAL GAL AAL GAL 9.73451
46 1OGZ EQU 9.73451
47 2GSU AMP 10.6195
48 1FLR FLU 10.6195
49 1XG4 ICT 10.6195
50 1YKD CMP 11.5044
51 2QPU QPS 11.5044
52 2QPU QPU 11.5044
53 2IO8 ADP 12.3894
54 1DY4 SNP 13.2743
55 4K3H 1OM 13.2743
56 2PR5 FMN 13.2743
57 1T66 FLU 14.1593
58 3ZXR P3S 15.9292
59 3ZXR IQ1 15.9292
60 5I8T LAC 17.6991
61 6BC0 GSP 18
62 2RFZ CTR 21.2389
63 6C02 APC 23.0089
64 4IEN COA 31.8584
65 4LED XXR 35.3982
66 4GC1 MAN MAN 47.7876
Pocket No.: 5; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 72
This union binding pocket(no: 5) in the query (biounit: 4oit.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4OTH DRN None
2 4HIA FMN None
3 1QIN GIP None
4 4IJP 1EH 1.76991
5 3VZS CAA 1.76991
6 3VZS NAP 1.76991
7 4G17 0VN 1.76991
8 4TW7 37K 1.76991
9 1C7O PPG 2.65487
10 5ISY NAD 2.65487
11 6C9B EGV 2.65487
12 2Y88 2ER 3.53982
13 6BXI ANP 3.53982
14 6A1G 9OL 3.53982
15 4LS7 1X9 3.53982
16 5A3T MMK 3.53982
17 3G5D 1N1 3.53982
18 1RE8 BD2 4.42478
19 3IDB ANP 4.42478
20 2QQ0 THM 4.42478
21 4WUJ FMN 4.42478
22 4IGQ THR M3L GLN 4.42478
23 3NT6 COA 4.42478
24 2B3D FAD 4.42478
25 3QT6 2P0 4.42478
26 4UX9 ANP 4.42478
27 4WB6 ATP 4.42478
28 4BCM T7Z 5.30973
29 4CFU 2WC 5.30973
30 3H5N ATP 5.30973
31 3RL3 5GP 5.30973
32 4WNP 3RJ 6.19469
33 5SVV FMN 6.19469
34 1CT9 AMP 6.19469
35 5LVP ATP 6.19469
36 3K5I ADP 6.19469
37 5X1M DHB 6.19469
38 1EWF PC1 6.19469
39 6CZI 38E 6.25
40 2B8T THM 7.07965
41 6GBC AMP 7.07965
42 5F3I 5UJ 7.07965
43 5FEU NAP 7.9646
44 6F3G CJN 7.9646
45 2F2U M77 7.9646
46 3UG4 AHR 7.9646
47 2WKQ FMN 7.9646
48 6B04 C6J 7.9646
49 3O0G 3O0 8.84956
50 3RI1 3RH 8.84956
51 5W10 CMP 9.73451
52 5GP0 GPP 9.73451
53 2EQA AMP 10.6195
54 4WB7 ATP 10.6195
55 1V0O INR 11.5044
56 5MWK RAM ARA GAL 8PK 8OQ RAM 11.5044
57 5FFF NAP 12.3894
58 4IDT T28 12.3894
59 5DJU FMN 13.1148
60 3FHI ANP 13.2743
61 2QCS ANP 13.2743
62 6GBV FMN 14.1593
63 3W8X FTK 15.9292
64 5CEO 50D 16.8142
65 4A05 CTT 18.5841
66 6GU6 1QK 18.5841
67 4I94 ANP 19.469
68 1PHK ATP 19.469
69 3KRB NAP 19.469
70 5XIJ ANP 19.469
71 5XIJ 873 19.469
72 1YJQ NAP 32.7434
Pocket No.: 6; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 8
This union binding pocket(no: 6) in the query (biounit: 4oit.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1O68 KIV None
2 5CSD ACD 1.76991
3 1U1I NAD 5.30973
4 3B6C SDN 5.30973
5 3WVR AMP 5.30973
6 5LI9 ACP 6.19469
7 1E3I CXF 6.19469
8 2BCG GER 7.9646
Pocket No.: 7; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 10
This union binding pocket(no: 7) in the query (biounit: 4oit.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3E8T UQ8 1.76991
2 6B5G CQY 8.84956
3 6B5G NAD 8.84956
4 4HWT 1B2 9.73451
5 1M3U KPL 10.6061
6 2OBD 2OB 10.6195
7 6C3C EJ1 12.3894
8 4L2I NAD 13.2743
9 4L2I FAD 13.2743
10 2I74 MAN MAN MAN MAN 24.7788
Pocket No.: 8; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 17
This union binding pocket(no: 8) in the query (biounit: 4oit.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4UAI 3GG None
2 4G31 0WH 3.53982
3 5UF1 FUC GAL NAG 3.53982
4 3PQB VGP 3.53982
5 4I06 X8A 5.30973
6 4PIV 2W4 5.30973
7 5TO8 7FM 5.30973
8 2PP3 LGT 7.9646
9 2RDK MAN MAN 8.25688
10 4QPL V3L 8.84956
11 4M0R 644 8.84956
12 4OAV ACP 8.84956
13 1C1X NAD 11.5044
14 3UN3 G16 13.2743
15 1FUI FOC 14.1593
16 3V3L V3L 18.8235
17 1RP7 TZD 25.6637
Pocket No.: 9; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 22
This union binding pocket(no: 9) in the query (biounit: 4oit.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2ORV 4TA None
2 2BOS GLA GAL None
3 1VP5 NAP 1.76991
4 3ICS COA 3.53982
5 4DXJ IPE 3.53982
6 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 4.42478
7 4ER2 IVA VAL VAL STA ALA STA 5.30973
8 4RFM 3P6 5.30973
9 5FU3 BGC BGC BGC 6.19469
10 3OZV ECN 6.19469
11 2WA4 069 7.07965
12 1M7Y PPG 8.84956
13 2V0U FMN 8.90411
14 5EFW FMN 8.96552
15 5DJT FMN 8.96552
16 2YNM PMR 9.73451
17 4U63 FAD 9.73451
18 2H6B 3C4 11.5044
19 3I3X U22 13.2743
20 1JDC GLC GLC GLC GLC 15.9292
21 4EES FMN 16.8142
22 3EWC MCF 20.354
Pocket No.: 10; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 13
This union binding pocket(no: 10) in the query (biounit: 4oit.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZO7 K6H None
2 3S43 478 2.0202
3 3ANY 2A3 3.53982
4 1DE6 RNS 3.53982
5 1RLZ NAD 4.42478
6 4ZZW CBI 7.07965
7 3OGV PTQ 7.07965
8 1G42 CP2 7.07965
9 2OVW CBI 8.84956
10 5YBN AKG 15.0442
11 2HXT EHM 16.8142
12 2RG0 CTT 21.2389
13 4ZL4 4PK 22.1239
Pocket No.: 11; Query (leader) PDB : 4OIT; Ligand: MAN; Similar sites found with APoc: 15
This union binding pocket(no: 11) in the query (biounit: 4oit.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4YHQ G10 2.0202
2 3GC0 AMP 2.65487
3 2Z77 HE7 3.53982
4 3MVH WFE 3.53982
5 6G33 5ID 3.53982
6 3WCZ NAP 4.42478
7 4ZTE 4RL 5.30973
8 4BCN T9N 5.30973
9 1EKO I84 6.19469
10 1EKO NAP 6.19469
11 3MWS 017 8.08081
12 4BFM ANP 8.84956
13 1H4H XYP XYS XYP 8.84956
14 3WG6 NDP 9.73451
15 5T8O 76Z 12.3894
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