Receptor
PDB id Resolution Class Description Source Keywords
3VY7 2.14 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN PANCREATIC SECRETORY PROTEIN ZG16 (ALPHA-D-MANNOSYL)-L-SERINE HOMO SAPIENS BETA-PRISM FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR MULTIPLE SUGAR RECOGNITION OF JACALIN-RELATED HUMAN ZG16P LECTIN J.BIOL.CHEM. V. 289 16954 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER MAN A:201;
Valid;
none;
submit data
267.234 n/a O=C([...
CL A:204;
A:203;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VY6 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN PANCREATIC SECRETORY PROTEIN ZG16 LAMINARIBIOSE HOMO SAPIENS BETA-PRISM FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR MULTIPLE SUGAR RECOGNITION OF JACALIN-RELATED HUMAN ZG16P LECTIN J.BIOL.CHEM. V. 289 16954 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER MAN; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 SER MAN 1 1
2 GAL SER A2G 0.575758 0.77551
3 A2G SER GAL 0.575758 0.77551
4 GAL TNR 0.575758 0.77551
5 NGA SER GAL 0.575758 0.77551
6 RGG 0.568627 0.769231
7 EBQ 0.45614 0.697674
8 EBG 0.45614 0.697674
9 DEG 0.446429 0.681818
10 2M8 0.438596 0.842105
11 GAL GCO 0.430769 0.846154
12 BMA GLA 0.423729 0.775
13 MAN BMA 0.423729 0.775
14 MLB 0.423729 0.775
15 GLA GLC 0.423729 0.775
16 GLA BMA 0.423729 0.775
17 GAL GAL 0.423729 0.775
18 GLC HEX 0.423729 0.638298
19 BHG 0.423729 0.638298
20 BGC GLA 0.423729 0.775
21 HEX GLC 0.423729 0.638298
22 LAK 0.423729 0.775
23 GLA BGC 0.423729 0.775
24 JZR 0.423729 0.638298
25 TRE 0.42 0.775
26 XNS 0.41791 0.659574
27 DR4 0.41791 0.659574
28 KGM 0.416667 0.625
29 MAN MMA 0.416667 0.738095
30 B7G 0.416667 0.625
31 GYP 0.411765 0.75
32 MBG 0.411765 0.75
33 MMA 0.411765 0.75
34 AMG 0.411765 0.75
35 GLC GLC GLC GLC BGC 0.409836 0.775
36 HSJ 0.409836 0.625
37 GLC GLC GLC 0.409836 0.775
38 GLC GLC GLC GLC GLC BGC 0.409836 0.775
39 MAN MAN MAN 0.409836 0.775
40 BNG 0.409836 0.625
41 BOG 0.409836 0.625
42 CEZ 0.409091 0.820513
43 XGP 0.407407 0.625
44 G1P 0.407407 0.625
45 M1P 0.407407 0.625
46 GL1 0.407407 0.625
47 GM3 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VY6; Ligand: BGC BGC; Similar sites found: 191
This union binding pocket(no: 1) in the query (biounit: 3vy6.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2O3Z AI7 0.01391 0.45536 None
2 2JK0 ASP 0.0004637 0.44826 None
3 3OJI PYV 0.01279 0.40724 None
4 2HMT NAI 0.02177 0.40504 None
5 3ZYR NAG NAG BMA MAN MAN NAG NAG 0.000005001 0.55656 1.41844
6 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.000006685 0.55023 1.41844
7 1ZEM NAD 0.005975 0.44733 2.12766
8 1V59 FAD 0.01639 0.4307 2.12766
9 1V59 NAD 0.005783 0.41603 2.12766
10 5LVP ATP 0.01033 0.41436 2.12766
11 1M15 ARG 0.02843 0.40728 2.12766
12 1M15 ADP 0.02843 0.40728 2.12766
13 2R4J 13P 0.04294 0.40727 2.12766
14 1SOW NAD 0.008381 0.45533 2.83688
15 2Y6Q FAD 0.0118 0.42803 2.83688
16 2Y6Q I7T 0.01894 0.42803 2.83688
17 4GKY MAN 0.0006713 0.42424 2.83688
18 5A6N U7E 0.0129 0.4206 2.83688
19 4M00 SUC 0.000002904 0.55245 3.14233
20 3P3G UKW 0.005722 0.46504 3.5461
21 3P3G 3P3 0.005722 0.46504 3.5461
22 2GJ5 VD3 0.01308 0.43406 3.5461
23 5DNC ASN 0.002116 0.42979 3.5461
24 3WQQ IB3 0.01212 0.41932 3.5461
25 3TKY SAH 0.007978 0.40857 3.5461
26 5J60 FAD 0.02394 0.408 3.5461
27 4R8L ASP 0.004364 0.40748 3.5461
28 4KP7 1UQ 0.0264 0.40345 3.5461
29 4JK3 NAD 0.03201 0.40037 3.5461
30 1MVQ MMA 0.000001642 0.58185 4.25532
31 2CUN 3PG 0.0004967 0.45326 4.25532
32 2JE7 XMM 0.000004776 0.45035 4.25532
33 3GMB FAD 0.006398 0.44577 4.25532
34 1GQG DCD 0.002967 0.43478 4.25532
35 3Q9T FAY 0.01547 0.42887 4.25532
36 5A1S FLC 0.002076 0.408 4.25532
37 5LD5 NAD 0.007538 0.40697 4.25532
38 4WB6 ATP 0.02681 0.40391 4.25532
39 1LOF MAN BMA NAG NAG MAN NAG GAL GAL 0.00003243 0.53301 4.96454
40 3RNM FAD 0.002705 0.49116 4.96454
41 2F5Z FAD 0.003421 0.47749 4.96454
42 3OVR 5SP 0.001374 0.46449 4.96454
43 1LOB MMA 0.000001186 0.45714 4.96454
44 4RPL 3UC 0.01127 0.45374 4.96454
45 4USQ FAD 0.01603 0.45148 4.96454
46 2AQJ TRP 0.0149 0.43899 4.96454
47 2AQJ FAD 0.01522 0.43899 4.96454
48 1LYX PGA 0.001438 0.43687 4.96454
49 2YYY NAP 0.004776 0.43581 4.96454
50 1FL2 FAD 0.03256 0.43156 4.96454
51 3QV1 NAD 0.005872 0.42728 4.96454
52 4RPL FAD 0.02533 0.42085 4.96454
53 1I1E DM2 0.004901 0.41987 4.96454
54 1RM4 NDP 0.006886 0.41772 4.96454
55 1YQS BSA 0.02012 0.41097 4.96454
56 5UAO FAD 0.01891 0.40937 4.96454
57 1X7D ORN 0.02243 0.40246 4.96454
58 2FMD MAN MAN 0.000001864 0.54579 5.67376
59 1ELI PYC 0.0001468 0.53949 5.67376
60 1SB8 UD2 0.0183 0.42832 5.67376
61 1SB8 NAD 0.0165 0.42832 5.67376
62 4XQC NAD 0.03413 0.41976 5.67376
63 1D4D FAD 0.01115 0.41156 5.67376
64 2QZZ EMF 0.03394 0.41141 5.67376
65 2QZZ NAP 0.03284 0.41141 5.67376
66 2ABJ CBC 0.0131 0.40661 5.67376
67 2V7B BEZ 0.007778 0.40583 5.67376
68 3LAD FAD 0.0217 0.41976 6.09244
69 1HQL GLA MBG 0.00003077 0.49179 6.38298
70 1RYI FAD 0.007832 0.46199 6.38298
71 4C3Y FAD 0.00459 0.43573 6.38298
72 4C3Y ANB 0.005389 0.43573 6.38298
73 1UXG NAD 0.01517 0.43387 6.38298
74 4YRY FAD 0.01782 0.43113 6.38298
75 2Q3R FMN 0.01214 0.42638 6.38298
76 3RFV NAI 0.01381 0.41431 6.38298
77 3RFV 15L 0.01434 0.41396 6.38298
78 1OMO NAD 0.02177 0.40506 6.38298
79 2YY7 NAD 0.02976 0.40304 6.38298
80 4XB2 NDP 0.02181 0.40024 6.38298
81 4XB2 HSE 0.03144 0.40024 6.38298
82 2GNM MAN 0.0000000507 0.63567 7.0922
83 2GNB MAN 0.00000007659 0.62121 7.0922
84 2PHU MAN MAN 0.0000002033 0.61021 7.0922
85 1Q8V MAN MAN MAN 0.0000003523 0.59667 7.0922
86 1Q8O MAN MMA 0.0000003238 0.59411 7.0922
87 2PHU MAN MAN MAN BMA MAN 0.0000006664 0.59189 7.0922
88 1Q8V MAN MAN 0.0000003822 0.59128 7.0922
89 2GN3 MAN 0.0000001531 0.58829 7.0922
90 1Q8P MAN MMA 0.0000006313 0.57976 7.0922
91 2PHX MAN MAN MAN MAN 0.0000007149 0.57664 7.0922
92 2GN3 MMA 0.0000002769 0.57253 7.0922
93 2AR6 NAG MAN MAN MAN NAG 0.000002385 0.57072 7.0922
94 2AR6 NAG MAN 0.000002152 0.5665 7.0922
95 2GMM MAN MAN 0.00000007727 0.55512 7.0922
96 2GND MAN 0.0000002055 0.5188 7.0922
97 2PHX MAN MAN 0.00002464 0.50313 7.0922
98 1UKG MMA 0.00001903 0.49847 7.0922
99 2PHT MAN MAN MAN 0.0000004709 0.4924 7.0922
100 2GND MAN MMA 0.0000005822 0.47678 7.0922
101 2PHW MAN MAN 0.0000006276 0.47607 7.0922
102 2PHF MAN MAN 0.0000006225 0.47593 7.0922
103 2PHR MAN MAN 0.0000006762 0.47488 7.0922
104 2PHF MAN MAN BMA MAN 0.0000005755 0.46521 7.0922
105 2PHR MAN MAN BMA MAN 0.0000006085 0.4646 7.0922
106 5MDH NAD 0.004525 0.45961 7.0922
107 2GMP NAG MAN 0.00001976 0.45508 7.0922
108 2PHT MAN MAN MAN BMA MAN 0.0000006276 0.45311 7.0922
109 1Q8Q MAN MMA 0.00002028 0.45211 7.0922
110 2PHW MAN MAN MAN BMA MAN MAN MAN 0.0000008743 0.44962 7.0922
111 1Q8S MAN MMA 0.00002929 0.44681 7.0922
112 5U3B 7TD 0.01122 0.44551 7.0922
113 2AUY NAG MAN MMA 0.000001439 0.43396 7.0922
114 4HA9 NDP 0.01321 0.42794 7.0922
115 3O61 GDD 0.02018 0.41535 7.0922
116 1KNR FAD 0.04723 0.41497 7.0922
117 5JY6 NAD 0.0157 0.41081 7.0922
118 1H9A NAP 0.0356 0.40879 7.0922
119 1DQX BMP 0.01672 0.40248 7.0922
120 1VRP ADP 0.01079 0.40183 7.0922
121 1REO FAD 0.01746 0.40041 7.0922
122 2HIM ASN 0.001415 0.42758 7.80142
123 1U6R ADP 0.007953 0.42223 7.80142
124 5GM9 CBK 0.005795 0.41874 7.80142
125 3C6K MTA 0.02234 0.41672 7.80142
126 3C6K SPD 0.02234 0.41672 7.80142
127 5U8U FAD 0.01414 0.45057 8.51064
128 1LDN NAD 0.009863 0.43319 8.51064
129 1B8U OAA 0.009817 0.42783 8.51064
130 1B8U NAD 0.005817 0.42783 8.51064
131 2CSN CKI 0.01878 0.41349 8.51064
132 2BQP GLC 0.00000005082 0.64499 9.21986
133 1LES GLC FRU 0.0000001203 0.56349 9.21986
134 1OFS SUC 0.0000001392 0.52511 9.21986
135 5BSR AMP 0.03857 0.41894 9.21986
136 5L4L NAP 0.02552 0.41071 9.21986
137 3QVP FAD 0.01733 0.42657 9.92908
138 1L3I SAH 0.01073 0.41431 9.92908
139 5E5U MLI 0.005933 0.40798 9.92908
140 4PLG NAI 0.01108 0.4541 10.6383
141 1LTH NAD 0.007686 0.42263 10.6383
142 5IQD RIO 0.02366 0.40685 10.6383
143 5IQD GNP 0.02283 0.40685 10.6383
144 1UWK NAD 0.03683 0.40547 10.6383
145 1LSS NAD 0.009607 0.42328 10.7143
146 5GPG RAP 0.0291 0.40621 10.7527
147 2RGO FAD 0.008202 0.4558 11.3475
148 4I42 1HA 0.04599 0.40503 11.3475
149 1MHW BP4 CYS DAR TYR PEA 0.04305 0.40527 11.9048
150 1IY8 NAD 0.03025 0.41051 12.0567
151 1E6E FAD 0.04717 0.40661 12.0567
152 3AAQ ARU 0.04798 0.4039 12.0567
153 5N87 N66 0.04445 0.41237 12.766
154 3CH6 311 0.03906 0.41222 12.766
155 3CH6 NAP 0.03906 0.41222 12.766
156 5G5G FAD 0.03853 0.40318 13.4752
157 4J36 FAD 0.01825 0.40689 14.1844
158 1NVM NAD 0.006346 0.43616 15.6028
159 3MJE NDP 0.02232 0.40984 15.6028
160 2QCS ANP 0.02299 0.40101 16.3121
161 3NZK C90 0.002957 0.4657 17.0213
162 3CTL S6P 0.01295 0.41214 17.0213
163 5JWC FAD 0.005429 0.45408 17.7305
164 3AI8 HNQ 0.005319 0.44466 17.7305
165 3P8N L4T 0.02017 0.40852 17.7305
166 1T26 NAI 0.02001 0.43315 18.4397
167 2B4R NAD 0.006668 0.4227 18.4397
168 2B4R AES 0.008698 0.41124 18.4397
169 2GAG FOA 0.02111 0.45046 19.1489
170 2GAG NAD 0.03991 0.40689 19.1489
171 4K81 GTP 0.01963 0.41781 19.8582
172 3EYA TDP 0.009666 0.43317 21.9858
173 1VBO MAN 0.0000002084 0.56289 24.8227
174 1VBO MAN MAN MAN 0.0000001444 0.54973 24.8227
175 1ZGS XMM 0.00000002169 0.58873 28.3688
176 1JOT GAL A2G 0.0001444 0.47894 28.5714
177 5AV7 MMA MAN NAG MAN NAG NAG 0.000000008337 0.81032 29.078
178 1XXR MAN 0.000000001078 0.65931 29.078
179 2BMZ XLM 0.000000001046 0.43246 35.461
180 1TOQ AMG 0.0001947 0.47563 39.8496
181 1WS5 MMA 0.00005633 0.52527 40.6015
182 1UGY GLA BGC 0.00007128 0.50551 40.6015
183 1WS4 GYP 0.00007355 0.50336 40.6015
184 1WS4 AMG 0.00006976 0.50314 40.6015
185 1KUJ MMA 0.0001183 0.49994 40.6015
186 1UGY GLA GLC 0.0001215 0.48263 40.6015
187 1UGW GAL 0.0001402 0.47721 40.6015
188 1M26 GAL A2G 0.0002916 0.46949 40.6015
189 1JAC AMG 0.0003482 0.44662 40.6015
190 1UGX GAL MGC 0.00003493 0.41457 40.6015
191 1C3M MAN MAN 0.0000000008178 0.80598 46.8085
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