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Receptor
PDB id Resolution Class Description Source Keywords
5T7P 2.16 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PISUM ARVENSE LECTIN (PAL) COMPLEXED WI PISUM SATIVUM PISUM ARVENSE LECTIN PAL X-MAN. SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF PISUM ARVENSE SEED LECTIN (PAL CHARACTERIZATION OF ITS INTERACTION WITH CARBOHYDRA MOLECULAR DOCKING AND DYNAMICS. ARCH. BIOCHEM. BIOPHYS. V. 630 27 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XMM B:303;
A:303;
Valid;
Valid;
none;
none;
submit data
408.629 C14 H15 Br Cl N O6 c1cc(...
CA A:302;
B:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BQP 1.9 Å NON-ENZYME: BINDING THE STRUCTURE OF THE PEA LECTIN-D-GLUCOPYRANOSE COMPLEX PISUM SATIVUM PEA LECTIN D-GLUCOPYRANOSE COMPLEX SUGAR BINDING PROTEIN
Ref.: THE STRUCTURE OF PEA LECTIN-D-GLUCOPYRANOSE COMPLEX AT A 1.9 A RESOLUTION RUSS.J.BIOORGANIC CHEM. V. 23 469 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2BQP - GLC C6 H12 O6 C([C@@H]1[....
2 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2BQP - GLC C6 H12 O6 C([C@@H]1[....
2 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
50% Homology Family (61)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5T55 Kd = 0.68 nM NGA GLA GAL BGC n/a n/a
2 5T54 Kd = 0.87 nM A2G GLA FUC n/a n/a
3 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
4 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
5 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
6 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
7 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
8 1S1A - MAN MMA n/a n/a
9 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
10 1N3Q - GLC BDF n/a n/a
11 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
12 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
13 1N3P - GLC FRU n/a n/a
14 2ARX - MAN MAN n/a n/a
15 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
16 1LED - FUC GAL MAG FUC n/a n/a
17 1GSL - FUC GAL MAG FUC n/a n/a
18 1V00 - LAT C12 H22 O11 C([C@@H]1[....
19 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
20 3N36 - GLA C6 H12 O6 C([C@@H]1[....
21 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
22 1UZY - GAL BGC n/a n/a
23 1LTE - BGC GAL n/a n/a
24 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
25 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
26 1GZC Kd = 0.32 mM LAT C12 H22 O11 C([C@@H]1[....
27 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
28 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
29 1GZ9 Kd = 0.31 mM FUC LAT n/a n/a
30 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
33 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
35 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
36 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
37 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
40 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
41 3WCS - MAN NAG GAL n/a n/a
42 3WOG - MAN NAG n/a n/a
43 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
44 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - GAL MGC n/a n/a
48 2DV9 - GAL GAL n/a n/a
49 1V6K - GAL GLC n/a n/a
50 1V6L - GAL BGC n/a n/a
51 2DVD - GAL GAL n/a n/a
52 2TEP - GAL NGA n/a n/a
53 2DVB - GAL C6 H12 O6 C([C@@H]1[....
54 1V6I - GAL GLC n/a n/a
55 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
56 1G9F - GAL NAG GAL NAG GAL n/a n/a
57 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
58 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
59 2ZMK - GLA EGA n/a n/a
60 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
61 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XMM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 XMM 1 1
2 CWK 0.414634 0.740741
3 56N 0.405797 0.647059
4 GAT 0.4 0.654545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BQP; Ligand: GLC; Similar sites found with APoc: 206
This union binding pocket(no: 1) in the query (biounit: 2bqp.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2NU5 NAG None
2 2GUC MAN None
3 2GUD MAN None
4 2GUD BMA None
5 2HYQ MAN MAN None
6 2HYR BGC GLC None
7 2NUO BGC None
8 2GUE NAG None
9 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN None
10 2FLI DX5 None
11 3HGM ATP None
12 5FJN FAD 1.7094
13 5FJN BE2 1.7094
14 1JXZ BCA 1.7094
15 1NZY BCA 1.7094
16 1S7G NAD 1.7094
17 5YRG BGC GLC 2.11268
18 5YRF GLC GLC 2.11268
19 1X7D NAD 2.13675
20 1X7D ORN 2.13675
21 5BSH PRO 2.13675
22 2YVK MRU 2.13675
23 1RP0 AHZ 2.13675
24 5AR0 GB8 2.13675
25 1RQL VSO 2.13675
26 4ZGS NAD 2.5641
27 2ZC0 PMP 2.5641
28 4C3Y FAD 2.5641
29 5YLT SFG 2.5641
30 3VZS CAA 2.5641
31 1DJN ADP 2.5641
32 6EL3 NAP 2.5641
33 3KB6 NAD 2.5641
34 2CM4 RCL 2.66667
35 2BTO GTP 2.77778
36 4ZNO SUC 2.99145
37 2Y4O DLL 2.99145
38 4L2H AR6 AR6 2.99145
39 3UCL CYH 2.99145
40 3UCL FAD 2.99145
41 3UCL NAP 2.99145
42 2V6G NAP 2.99145
43 6FP4 FAD 2.99145
44 5G3U ITW 2.99145
45 5G3U FDA 2.99145
46 1Q1R FAD 2.99145
47 4RF2 NAP 2.99145
48 3NT6 FAD 2.99145
49 6GAS FAD 2.99145
50 2BJK NAD 2.99145
51 5NII FAD 2.99145
52 1FL2 FAD 2.99145
53 4DXD 9PC 3.28283
54 2JG1 ANP 3.4188
55 4MIG G3F 3.4188
56 3LZW NAP 3.4188
57 3LZW FAD 3.4188
58 3JZ4 NAP 3.4188
59 2WLT ASP 3.4188
60 1C4U IH1 3.4188
61 4GLL NAD 3.4188
62 4JBI NDP 3.4188
63 3ACL 3F1 3.4188
64 2VUT NAD 3.4188
65 5K4G ASP 3.4188
66 2CXS F6P 3.4188
67 5JE8 NAD 3.4188
68 2R4J FAD 3.79242
69 2R4J 13P 3.79242
70 6F7L FAD 3.84615
71 2I7C AAT 3.84615
72 2PT9 2MH 3.84615
73 2PT9 S4M 3.84615
74 1YJQ NAP 3.84615
75 4I4Z 2NE 3.84615
76 3AFN NAP 3.84615
77 4FZV SAM 3.84615
78 4FG8 ATP 3.84615
79 2I3G NAP 3.84615
80 5X20 NAD 3.84615
81 1SC6 NAD 3.84615
82 5MQ5 ASP 3.84615
83 6D6L FY4 4.11765
84 5XFH NAG MAN BMA MAN NAG GAL 4.13793
85 5XDT ZI7 4.22078
86 1QF5 GDP 4.2735
87 1QF5 RPL 4.2735
88 3C6K SPD 4.2735
89 3C6K MTA 4.2735
90 5KMS FAD 4.2735
91 1B8O IMH 4.2735
92 2A92 NAI 4.2735
93 3B20 NAD 4.2735
94 3A4T SFG 4.2735
95 5DK4 5BX 4.70085
96 5DK4 ATP 4.70085
97 5YB7 ORN 4.70085
98 1Z82 NDP 4.70085
99 3ICS FAD 4.70085
100 3ICR FAD 4.70085
101 3ICT FAD 4.70085
102 2FWP ICR 4.91803
103 6CI9 NAP 5.12821
104 4S3F 43W 5.12821
105 5Z20 NAI 5.12821
106 1COY FAD 5.12821
107 3VGL ANP 5.29595
108 1WUR 8DG 5.45455
109 2CUN 3PG 5.55556
110 3GD4 NAD 5.55556
111 2YG3 FAD 5.55556
112 5YRI GLC GLC 5.6338
113 5YRM BGC GLC 5.6338
114 5YRL GLC GLC 5.6338
115 5YRJ BGC GLC 5.6338
116 3BY8 MLT 5.6338
117 6B5Q PPI CZS 2KY MLY 1XY 5.77778
118 5OC1 FAD 5.98291
119 1LYX PGA 5.98291
120 3ZBQ GDP 5.98291
121 6GNA FAD 5.98291
122 2ABS ACP 5.98291
123 2B4R AES 5.98291
124 4ZS4 ATP 5.98291
125 2HNK SAH 5.98291
126 5TQZ GLC 6
127 3R51 MMA 6.25
128 4MOP 2H5 6.41026
129 2Z6J FMN 6.41026
130 2F1K NAP 6.41026
131 2F5Z FAD 6.41026
132 3RNM FAD 6.41026
133 1N9G NAP 6.41026
134 2ZXI FAD 6.83761
135 4UP3 FAD 6.83761
136 5F52 ASP 6.83761
137 4UP3 NDP 6.83761
138 1N5D NDP 6.83761
139 1TZJ A3B 6.83761
140 1LDN NAD 6.83761
141 2QWO ADP 7.26496
142 4XSU GLC 7.26496
143 3LDQ 3P1 7.26496
144 3FPZ AHZ 7.69231
145 4I3V NAD 7.69231
146 1RQ2 CIT 7.69231
147 5OVL NAP 7.69231
148 2O2C G6Q 7.69231
149 5Z21 NAI 7.69231
150 4QTB 38Z 7.69231
151 1L3I SAH 7.8125
152 1ELI PYC 8.11966
153 1D4D FAD 8.11966
154 3OA2 NAD 8.11966
155 4HA9 NDP 8.11966
156 1TDF FAD 8.11966
157 1TDF NAP 8.11966
158 3GF4 UPG 8.11966
159 3GF4 FAD 8.11966
160 3CIF NAD 8.35655
161 6F97 FAD 8.54701
162 1GQ2 NAP 8.54701
163 1I2L DCS 8.54701
164 4Z87 GDP 8.54701
165 5ITZ GDP 8.97436
166 5EIB GTP 8.97436
167 3RYC GDP 8.97436
168 5LXT 7AK 8.97436
169 5EYP GDP 8.97436
170 4LNU GDP 8.97436
171 3RYC GTP 8.97436
172 5ITZ GTP 8.97436
173 4LNU GTP 8.97436
174 5EYP GTP 8.97436
175 5FPE 3TR 8.97436
176 3VY6 BGC BGC 9.21986
177 5GM9 CBK 9.38967
178 1GZ4 ATP 9.40171
179 1I8T FAD 9.40171
180 1BXG NAD 9.82906
181 5VN0 FAD 9.82906
182 1BXG HCI 9.82906
183 2ZFZ ARG 10.1266
184 3Q9T FAY 10.2564
185 1O94 ADP 10.2564
186 1NVM NAD 10.2564
187 1V59 FAD 10.6838
188 4ONA UW1 10.6838
189 1NLU IVA PHI TYB 10.6838
190 1D6S MET PLP 11.1111
191 3CR3 ADP 11.5702
192 2GAG NAD 12.1212
193 1KOJ PAN 12.3932
194 4JK3 NAD 12.3932
195 4M52 FAD 12.8205
196 3AD8 NAD 12.8205
197 3CB2 GDP 13.2479
198 2UZ1 TPP 13.2479
199 2IVF MGD 14.5299
200 2DUR MAN MAN 15.812
201 5JWC FAD 15.812
202 1P9B HDA 16.6667
203 1SZD APR 16.6667
204 2OD9 A1R NCA 16.6667
205 1P9B IMO 16.6667
206 5ZZ6 NAD 16.8269
Pocket No.: 2; Query (leader) PDB : 2BQP; Ligand: GLC; Similar sites found with APoc: 160
This union binding pocket(no: 2) in the query (biounit: 2bqp.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4IMG NGF 1.28205
2 5GM1 SAH 1.28205
3 1PZG A3D 1.7094
4 1LBZ FBP 1.7094
5 1WP4 NDP 1.7094
6 2BES RES 1.74419
7 1QL9 ZEN 1.79372
8 4POO SAM 2
9 5UAV NDP 2.13675
10 5UAV TFB 2.13675
11 4CZG ADP 2.13675
12 4CZG QH3 2.13675
13 2V7B BEZ 2.13675
14 4N02 FNR 2.13675
15 4X6I 3Y1 2.32558
16 5KOX RFP 2.5641
17 5KOX FAD 2.5641
18 4C3Y ANB 2.5641
19 3LAD FAD 2.5641
20 5UAO FAD 2.5641
21 4OBW SAM 2.5641
22 4RLQ 3SK 2.5641
23 1WMA AB3 2.5641
24 1WMA NDP 2.5641
25 4KCT PYR 2.5641
26 6CGD GNP 2.5641
27 3ZG6 APR 2.5641
28 6HOY AR6 2.5641
29 6HOY TSN 2.5641
30 5OYH T99 2.59067
31 4HA6 FAD 2.99145
32 1J49 NAD 2.99145
33 1GUZ NAD 2.99145
34 1QO8 FAD 2.99145
35 2VHW NAI 2.99145
36 1RM0 NAI 2.99145
37 1UA4 BGC 2.99145
38 1UA4 GLC 2.99145
39 3RIY NAD 2.99145
40 6DIO NAD 2.99145
41 3SBD GNP 3.20856
42 1GAR U89 3.30189
43 1LTH NAD 3.4188
44 3ELW GP3 3.4188
45 3ELW SAM 3.4188
46 1QAN SAH 3.4188
47 5EVY FAD 3.4188
48 3CTY FAD 3.4188
49 1A5Z NAD 3.4188
50 4CNK FAD 3.4188
51 3X1Z GNP 3.59281
52 1FWV SGA MAG FUC 3.73134
53 4YCA NDP 3.84615
54 4L3L 5FI 3.84615
55 1DLJ NAI 3.84615
56 1DLJ UGA 3.84615
57 4D57 ARG AMP 3.84615
58 4E13 NAD 3.84615
59 2AL2 PEP 3.84615
60 4E5N NAD 3.84615
61 4I54 1C1 3.84615
62 5KZD RCJ 3.84615
63 4HDO GNP 4.19162
64 4HDQ GNP 4.19162
65 1F74 NAY 4.2735
66 6BQ6 TER 4.2735
67 3L4S 3PG 4.2735
68 3L4S NAD 4.2735
69 5ULP KB1 4.2735
70 3FVQ ATP 4.2735
71 5LD5 NAD 4.2735
72 4L2I FAD 4.2735
73 1ONI BEZ 4.34783
74 1F8Y 5MD 4.4586
75 4Q4K FMN 4.70085
76 2D1S SLU 4.70085
77 1UWK URO 4.70085
78 1UWK NAD 4.70085
79 3ITJ FAD 4.70085
80 5GVH FMN 4.70085
81 1GUA GNP 4.79042
82 2NPX FAD 5.12821
83 4YRY FAD 5.12821
84 2RGO FAD 5.12821
85 1LVL FAD 5.12821
86 5WPJ NDP 5.12821
87 4H4D 10E 5.12821
88 3M89 GSP 5.12821
89 4PNE SAH 5.12821
90 1WY7 SAH 5.31401
91 1JQ3 AAT 5.55556
92 3S5W NAP 5.55556
93 5J60 FAD 5.55556
94 1ATL 0QI 5.94059
95 1FEC FAD 5.98291
96 1LVW TYD 5.98291
97 5MQ6 NDP 5.98291
98 6AM8 TRP 5.98291
99 5DXA SFG 5.98291
100 1W5F G2P 5.98291
101 3RLF ANP 5.98291
102 5UWS GNP 6.29371
103 4AT0 FAD 6.41026
104 2YVF FAD 6.41026
105 5N5S NAP 6.41026
106 5WDR GNP 6.43275
107 2HQM FAD 6.68058
108 2HJR APR 6.83761
109 3GCZ SAM 6.83761
110 6FA4 GNP 6.93642
111 1SOW NAD 7.26496
112 2WA2 SAM 7.26496
113 2UYT ADP 7.26496
114 2UYT LRH 7.26496
115 4Z24 FAD 7.69231
116 1GJW GLC 7.69231
117 5UPK GNP 8.33333
118 3BF1 ADP 8.54701
119 2BD0 NAP 8.97436
120 6CEP OXM 9.40171
121 6CEP NAD 9.40171
122 1X87 NAD 9.40171
123 3WYF GTP 9.40171
124 6D5E GNP 9.58084
125 6D59 GNP 9.58084
126 6D56 GNP 9.58084
127 6BVL GNP 9.58084
128 6D5G GNP 9.58084
129 6D5J GNP 9.58084
130 6BVJ GNP 9.58084
131 6D5L GNP 9.58084
132 6D55 GNP 9.58084
133 6BVI GNP 9.58084
134 6BVM GNP 9.58084
135 6BVK GNP 9.58084
136 6D5H GNP 9.58084
137 6D5V GNP 9.58084
138 4J56 FAD 9.64912
139 1BW9 NAD 9.82906
140 1C1X NAD 9.82906
141 2E5V FAD 9.82906
142 5ZYN FAD 10.2564
143 1WPY BTN 10.2564
144 1YQS BSA 10.2564
145 2B7D C1B 10.5505
146 5CAE SIN 11.5385
147 1I36 NAP 11.9658
148 4M52 M52 12.8205
149 9LDB NAD 13.6752
150 9LDT NAD 13.6752
151 2YVJ FAD 14.6789
152 2YVJ NAI 14.6789
153 5KDS A2G THR ALA PRO GLY GLY NAG SIA 14.9573
154 3VPH OXM 16.2393
155 3VPH NAD 16.2393
156 3QV1 NAD 18.2927
157 1KEV NDP 18.8034
158 4ZVV GN0 21.7949
159 4ZVV NAD 21.7949
160 1LFD GNP 26.4368
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