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Receptor
PDB id Resolution Class Description Source Keywords
2WQ4 1.42 Å NON-ENZYME: BINDING N-TERMINAL DOMAIN OF BC2L-C LECTIN FROM BURKHOLDERIA CENOCEP BURKHOLDERIA CENOCEPACIA LUNG PATHOGEN INFECTION SUGAR BINDING PROTEIN
Ref.: A TNF-LIKE TRIMERIC LECTIN DOMAIN FROM BURKHOLDERIA CENOCEPACIA WITH SPECIFICITY FOR FUCOSYLATED HUMAN HISTO-BLOOD GROUP ANTIGENS STRUCTURE V. 18 59 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR A:300;
Invalid;
none;
submit data
79.904 Br [Br-]
SFU A:200;
B:200;
C:200;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
241.144 C7 H14 O4 Se C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WQ4 1.42 Å NON-ENZYME: BINDING N-TERMINAL DOMAIN OF BC2L-C LECTIN FROM BURKHOLDERIA CENOCEP BURKHOLDERIA CENOCEPACIA LUNG PATHOGEN INFECTION SUGAR BINDING PROTEIN
Ref.: A TNF-LIKE TRIMERIC LECTIN DOMAIN FROM BURKHOLDERIA CENOCEPACIA WITH SPECIFICITY FOR FUCOSYLATED HUMAN HISTO-BLOOD GROUP ANTIGENS STRUCTURE V. 18 59 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2WQ4 - SFU C7 H14 O4 Se C[C@H]1[C@....
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 2WQ4 - SFU C7 H14 O4 Se C[C@H]1[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2WQ4 - SFU C7 H14 O4 Se C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SFU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TFU 1 1
2 SFU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WQ4; Ligand: SFU; Similar sites found with APoc: 156
This union binding pocket(no: 1) in the query (biounit: 2wq4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZVV GN0 None
2 4ZVV NAD None
3 2V1O COA None
4 2RGX AP5 None
5 3N8K D1X None
6 1KHT AMP None
7 4M26 AKG 1.28205
8 1O6B ADP 1.28205
9 5XVS UDP 1.92308
10 4URF 1PS 1.92308
11 6HTO 5AD 1.92308
12 6HTO MET 1.92308
13 3KV8 FAH 2.15827
14 1EXF GLY 2.5641
15 2JDC CAO 2.5641
16 1YBU APC 2.5641
17 2CYE COA 3.00752
18 5C2H 4XU 3.20513
19 2WLG SOP 3.20513
20 1DIG NAP 3.20513
21 1KEV NDP 3.20513
22 1UXG NAD 3.20513
23 1UXG FUM 3.20513
24 1J5P NAD 3.20513
25 1DIG L37 3.20513
26 5TC4 NAD 3.20513
27 3CR3 ADP 3.20513
28 5BSR COA 3.20513
29 4JEM C5P 3.20513
30 1TB3 FMN 3.20513
31 3E70 GDP 3.20513
32 4OHB 5HM 3.20513
33 5WRE 7TL 3.22581
34 3TMK T5A 3.24074
35 2A92 NAI 3.84615
36 1KYQ NAD 3.84615
37 6FP4 E1T 3.84615
38 2GC0 PAN 3.84615
39 5X0J SEP 3.84615
40 5X0J AMP 3.84615
41 3Q9T FAY 3.84615
42 1VM6 NAD 3.84615
43 5W4W 9WG 3.84615
44 1KOL NAD 3.84615
45 5FM0 WAQ 3.84615
46 5Z20 NAI 3.84615
47 6G96 ACO 3.84615
48 4PLG NAI 3.89222
49 4PLG OXM 3.89222
50 1MUU NAD 4.48718
51 4TMC HBA 4.48718
52 2NPX NAD 4.48718
53 2NPX FAD 4.48718
54 4TMC FMN 4.48718
55 5DEY 59T 4.48718
56 5M77 7K2 7K3 4.48718
57 5LNW RP5 4.48718
58 5Z21 NAI 4.48718
59 4LRZ ADP 4.48718
60 2FN1 SAL 4.48718
61 2DM6 NAP 4.48718
62 3A75 GLU 4.48718
63 3DPC HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 4.48718
64 5A1T NAI 4.48718
65 1TMX BEZ 4.48718
66 6AIC AMP 4.48718
67 6F6J CUW 4.48718
68 6F6J SIN 4.48718
69 1J49 NAD 4.5045
70 3BJK CIT 4.57516
71 1E6E FAD 4.6875
72 5JFL NAD 5.12821
73 1BAI 0Q4 5.12821
74 1G0H IPD 5.12821
75 1CZI PRO PHI SMC NOR 5.12821
76 5K4W THR 5.12821
77 3BEO UDP 5.12821
78 4ZGS NAD 5.12821
79 3KRU FMN 5.53936
80 4PLT NAI 5.76923
81 4PLT OXM 5.76923
82 1J3R 6PG 5.76923
83 2WBP SIN 5.76923
84 2WBP ZZU 5.76923
85 5AHS FAD 5.76923
86 6EXF LYS 5.76923
87 5AHS COA 5.76923
88 5OCM NAP 5.76923
89 5EQ8 HSO 5.76923
90 1W2Y DUN 5.76923
91 5FRD COA 5.76923
92 1YQS BSA 5.76923
93 1TKB N1T 5.76923
94 1LBZ FBP 5.76923
95 4A2A ATP 6.41026
96 4A2B AGS 6.41026
97 6BR8 6OU 6.41026
98 1XEX ATP 6.41026
99 5JY4 ISC 6.41026
100 5JXZ ISJ 6.41026
101 5JXZ ISC 6.41026
102 1LVW TYD 6.41026
103 2BOY BHO 6.41026
104 5HES 032 6.41026
105 4IJR NDP 6.41026
106 5ULJ 0WD 7.05128
107 1UBY DMA 7.05128
108 3E85 BSU 7.05128
109 4JD3 PLM 7.05128
110 4JD3 COA 7.05128
111 4FBL SPD 7.05128
112 4EPL JAI 7.69231
113 1T26 GBD 7.69231
114 1T26 NAI 7.69231
115 4HA6 FAD 7.69231
116 6DEF GCP 7.69231
117 2CVQ NDP 7.69231
118 5AE9 OKO 8.33333
119 4CJN QNZ 8.33333
120 5YS9 FAD 8.33333
121 4CJN MUR 8.33333
122 1V8B NAD 8.33333
123 5Y9D FAD 8.97436
124 5LPA ATP 8.97436
125 5LPA 71R 8.97436
126 1QB7 ADE 8.97436
127 1FLM FMN 9.01639
128 1X1Z BMP 9.61539
129 1QSR ACO 9.61539
130 5EOU ATP 9.61539
131 2BHZ MAL 9.61539
132 2R5N TPP 10.2564
133 2R5N R5P 10.2564
134 2R5N RP5 10.2564
135 5VE5 GSH 10.2564
136 2DYR PSC 11.5385
137 2DYS PSC 11.5385
138 5ZCO PSC 11.5385
139 5BO9 SIA GAL NGS 12.1795
140 4FJU NAI 12.1795
141 5FAG PPI 12.1795
142 5TV6 PML 12.8205
143 4YRY FAD 13.4615
144 5BZ4 COA 14.1026
145 4B4U NAP 14.1026
146 3B2Q ATP 14.1026
147 1F8Y 5MD 14.1026
148 3VPH OXM 14.7436
149 3VPH NAD 14.7436
150 5D6J ATP 14.8649
151 1KBJ FMN 16.0256
152 1KBI PYR 16.6667
153 1KBI FMN 16.6667
154 4PTZ FMN 16.7539
155 1UWK NAD 18.5897
156 1UWK URO 18.5897
Pocket No.: 2; Query (leader) PDB : 2WQ4; Ligand: SFU; Similar sites found with APoc: 96
This union binding pocket(no: 2) in the query (biounit: 2wq4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4K4D HFQ None
2 4M26 ZZU 1.28205
3 4M26 SIN 1.28205
4 1UKW FAD 1.28205
5 1LTH NAD 2.5641
6 5FI3 NAP 2.5641
7 3MWS 017 2.5641
8 3F6R FMN 2.5641
9 3H4T UDP 3.20513
10 2Q0D ATP 3.20513
11 3TFJ THG 3.20513
12 4LY9 1YY 3.20513
13 4LY9 S6P 3.20513
14 1NY5 ADP 3.84615
15 3OTH CLJ 3.84615
16 1C1X NAD 3.84615
17 4DEC UDP 3.84615
18 4DEC 3PG 3.84615
19 3PFD FDA 3.84615
20 5A04 BGC 3.84615
21 1VFS DCS 3.84615
22 1PZG A3D 3.84615
23 1BW9 NAD 3.84615
24 1QFY FAD 3.84615
25 1QFY NAP 3.84615
26 3TWO NDP 3.84615
27 6DVH FMN 3.84615
28 1MV8 NAD 4.48718
29 1KZL CRM 4.48718
30 5VKT NAP 4.48718
31 5YBN AKG 4.48718
32 5H68 AGS 4.48718
33 6D28 NEC 4.48718
34 3CQD ATP 5.12821
35 3D91 REM 5.12821
36 3SFV GDP 5.12821
37 2XNJ NAP 5.12821
38 4Z3X MTE 5.12821
39 3OII SAH 5.12821
40 4Z3X 4KX 5.12821
41 3OJO NAD 5.76923
42 3GGU 017 5.76923
43 2PYY GLU 5.76923
44 5U97 PIT 5.76923
45 3GGO ENO 5.76923
46 3GGO NAI 5.76923
47 4GXQ ATP 5.76923
48 2AE2 NAP 5.76923
49 2AE2 PTO 5.76923
50 3MJY IJZ 5.76923
51 3MJY FMN 5.76923
52 3QVV A3P 5.76923
53 6CEP NAD 6.41026
54 3PNL ADP 6.41026
55 6CEP OXM 6.41026
56 5FP3 3JI 7.05128
57 1O9J NAD 7.05128
58 1LK7 DER 7.05128
59 2BUP ATP 7.05128
60 2BUP ADP 7.05128
61 4OLT GCS GCS GCS GCS GCS GCS 7.05128
62 3C5E ATP 7.05128
63 5O4J SAH 7.66423
64 5O4J 9KH 7.66423
65 4Y9J UCC 7.69231
66 4WZH FMN 7.69231
67 1BXK NAD 7.69231
68 1RYD NDP 8.33333
69 1H6C NDP 8.33333
70 1H6C SIN 8.33333
71 3H0L ADP 8.33333
72 5LXT GTP 8.97436
73 3C3N FMN 8.97436
74 3KTA AP5 9.61539
75 4WW8 VD9 9.61539
76 6G3R ADP 9.61539
77 5GWT NAD 9.61539
78 3KB6 NAD 9.88024
79 3I8P 840 10.2564
80 5WKC FAD 10.8974
81 3VGL ANP 11.5385
82 1ZQ5 NAP 12.1795
83 1ZQ5 E04 12.1795
84 1YQD NAP 12.8205
85 3HY3 10F 14.1026
86 1SOX MTE 14.7436
87 1M7G AV2 14.7436
88 2A9D MTE 14.7436
89 2BII MTV 14.7436
90 5EXW 7DT 16.0256
91 4D42 NAP 16.0256
92 4D42 W0I 16.0256
93 3CRZ NAP 17.3077
94 1OVD FMN 26.9231
95 1OVD ORO 26.9231
96 3CL7 HYN 28.2051
Pocket No.: 3; Query (leader) PDB : 2WQ4; Ligand: SFU; Similar sites found with APoc: 45
This union binding pocket(no: 3) in the query (biounit: 2wq4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZNY GDP 1.92308
2 1R6W 164 1.92308
3 2ON5 GSH 2.5641
4 2XVD AS6 2.5641
5 1BZY IMU 3.20513
6 5TOW NAI 3.84615
7 5TOW ADN 3.84615
8 1BXG NAD 3.84615
9 2H8Z FMN 3.84615
10 2H8Z 8CM 3.84615
11 2VTD LKM 4.48718
12 4LXH C1E 4.48718
13 1EZ0 NAP 4.48718
14 4CZG ADP 4.48718
15 4M52 M52 5.12821
16 1P4A PCP 5.12821
17 4Q9M FPP 5.12821
18 1S7G APR 5.12821
19 2ZMF CMP 5.29101
20 1LO8 4CA 5.67376
21 5XJ7 87O 5.76923
22 1DRY AAG 5.76923
23 1DRY AKG 5.76923
24 6HOY AR6 5.76923
25 6HOY TSN 5.76923
26 5GMD DP6 5.76923
27 6BR9 6OU 6.41026
28 4P86 5GP 6.41026
29 2RJH DCS 6.41026
30 3LF0 ATP 7.01754
31 4JKV 1KS 7.05128
32 5KD6 LBU 7.05128
33 4A0S NAP 7.05128
34 1DKF BMS 7.05128
35 2CXS F6P 7.05128
36 4XF6 ADP 7.32601
37 3WIS FMN 8.33333
38 3AD8 NAD 8.33333
39 2GCG NDP 8.97436
40 3T3C 017 9.09091
41 5ZCO PEK 11.5385
42 4MOB COA 11.747
43 3SIG AR6 12.1795
44 2OQ2 A3P 12.1795
45 2I7N ACO 17.3077
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