Receptor
PDB id Resolution Class Description Source Keywords
6TKV 1.95 Å EC: 2.4.1.68 CRYSTAL STRUCTURE OF THE HUMAN FUT8 IN COMPLEX WITH GDP AND BIANTENNARY COMPLEX N-GLYCAN HOMO SAPIENS GLYCOSYLTRANSFERASE SUGAR NUCLEOTIDE ACCEPTOR SUBSTRATE CSUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY AND CATA ALPHA 1,6-FUCOSYLTRANSFERASE. NAT COMMUN V. 11 973 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:602;
B:611;
B:607;
B:614;
A:605;
B:606;
A:602;
A:604;
B:603;
A:603;
B:604;
B:605;
B:613;
B:608;
B:612;
B:609;
B:610;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GDP A:601;
B:601;
 Valid;
Valid;
 none;
none;
 submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
NAG NAG BMA MAN MAN NAG NAG C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
1301.21 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TKV 1.95 Å EC: 2.4.1.68 CRYSTAL STRUCTURE OF THE HUMAN FUT8 IN COMPLEX WITH GDP AND BIANTENNARY COMPLEX N-GLYCAN HOMO SAPIENS GLYCOSYLTRANSFERASE SUGAR NUCLEOTIDE ACCEPTOR SUBSTRATE CSUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY AND CATA ALPHA 1,6-FUCOSYLTRANSFERASE. NAT COMMUN V. 11 973 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6TKV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6TKV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6TKV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GDP; Similar ligands found: 160
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 GNP 0.839506 0.973684
6 9GM 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GPG 0.741573 0.961039
21 GDP BEF 0.741176 0.935065
22 GTP MG 0.732558 0.96
23 G3D 0.732558 0.986486
24 ALF 5GP 0.729412 0.888889
25 Y9Z 0.728261 0.902439
26 G5P 0.723404 0.973684
27 GFB 0.72043 0.961039
28 GTG 0.72043 0.936709
29 GDR 0.72043 0.961039
30 G4P 0.715909 0.986486
31 6CK 0.712766 0.936709
32 G3A 0.712766 0.973684
33 GDP ALF 0.7 0.888889
34 GDP AF3 0.7 0.888889
35 YGP 0.698925 0.901235
36 GKD 0.697917 0.961039
37 JB2 0.697917 0.961039
38 GDX 0.690722 0.973684
39 GPD 0.690722 0.925
40 GMP 0.684211 0.88
41 0O2 0.666667 0.986486
42 JB3 0.656863 0.948718
43 NGD 0.650485 0.961039
44 GDP 7MG 0.636364 0.911392
45 DGI 0.636364 0.923077
46 U2G 0.634615 0.936709
47 GPX 0.634409 0.946667
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 KB7 0.629214 0.82716
52 CG2 0.622642 0.936709
53 FEG 0.619048 0.879518
54 MGD 0.614679 0.891566
55 ZGP 0.613208 0.869048
56 GH3 0.612903 0.973333
57 3GP 0.611765 0.946667
58 MD1 0.607143 0.891566
59 PGD 0.59292 0.925
60 DGT 0.591398 0.923077
61 BGO 0.588785 0.924051
62 TPG 0.582609 0.840909
63 DBG 0.582609 0.948718
64 KBD 0.581633 0.82716
65 QBQ 0.576087 0.986486
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 KBJ 0.558824 0.797619
69 MGP 0.553191 0.961039
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 I2C FE2 CMO CMO 0.543103 0.808989
73 G1R G1R 0.542373 0.924051
74 P2G 0.527473 0.883117
75 PGD O 0.525 0.850575
76 ADP 0.522222 0.92
77 R5I 0.520833 0.946667
78 R7I 0.520833 0.946667
79 GGM 0.517544 0.901235
80 DG 0.516484 0.910256
81 DGP 0.516484 0.910256
82 P1G 0.516129 0.871795
83 CZF 0.515789 0.933333
84 G1G 0.508475 0.925
85 IMP 0.505495 0.959459
86 AKW 0.504425 0.890244
87 G C 0.504348 0.9
88 GPC 0.491525 0.879518
89 G7M 0.483871 0.948052
90 6AD 0.479592 0.841463
91 ATP 0.473684 0.92
92 HEJ 0.473684 0.92
93 G2Q 0.471154 0.961039
94 AQP 0.46875 0.92
95 5FA 0.46875 0.92
96 GTA 0.468468 0.936709
97 7DD 0.468085 0.906667
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 JSQ 0.459184 0.873418
102 B4P 0.457447 0.894737
103 AP5 0.457447 0.894737
104 A2D 0.456522 0.894737
105 6YZ 0.455446 0.896104
106 ACQ 0.454545 0.896104
107 ANP 0.454545 0.896104
108 5GP 5GP 0.454545 0.883117
109 AT4 0.452632 0.884615
110 APC G U 0.451613 0.886076
111 PRT 0.449541 0.959459
112 ITT 0.447917 0.868421
113 BA3 0.446809 0.894737
114 C2E 0.444444 0.921053
115 35G 0.444444 0.933333
116 PCG 0.444444 0.933333
117 MGO 0.441176 0.864198
118 AN2 0.4375 0.907895
119 NO7 0.436893 0.860759
120 M33 0.43299 0.883117
121 UCG 0.429688 0.911392
122 ACP 0.428571 0.896104
123 MGQ 0.424528 0.935897
124 APR 0.424242 0.894737
125 7DT 0.424242 0.906667
126 AR6 0.424242 0.894737
127 M7G A2M G 0.422819 0.808989
128 93A 0.42268 0.833333
129 A4P 0.420168 0.869048
130 G8D 0.42 0.875
131 AD9 0.42 0.896104
132 AGS 0.42 0.873418
133 CA0 0.418367 0.896104
134 ATF 0.417476 0.884615
135 NYZ 0.415842 0.935897
136 GZ0 0.415254 0.948718
137 AGO 0.414634 0.888889
138 KG4 0.414141 0.896104
139 NIA 0.413043 0.82716
140 MGV 0.412844 0.890244
141 TAT 0.411765 0.884615
142 T99 0.411765 0.884615
143 ADQ 0.411215 0.871795
144 A1R 0.411215 0.839506
145 RGT 0.410714 0.909091
146 CGP 0.409836 0.86747
147 HQG 0.409524 0.907895
148 C1Z 0.409091 0.986486
149 AMP 0.408602 0.893333
150 A 0.408602 0.893333
151 UP5 0.40678 0.873418
152 C2R 0.406593 0.906667
153 AMZ 0.406593 0.918919
154 JBT 0.405882 0.778947
155 A22 0.40566 0.907895
156 25L 0.405405 0.907895
157 ADX 0.40404 0.809524
158 8OD 0.401961 0.946667
159 50T 0.4 0.883117
160 4TC 0.4 0.851852
Ligand no: 2; Ligand: NAG NAG BMA MAN MAN NAG NAG; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG BMA MAN MAN NAG NAG 1 1
2 NAG NAG BMA MAN MAN MAN MAN 0.792453 0.981132
3 NAG NAG BMA MAN MAN NAG GAL NAG 0.738318 0.924528
4 NDG BMA MAN MAN NAG GAL NAG 0.728972 0.924528
5 NAG NAG FUL BMA MAN MAN NAG GAL 0.719298 1
6 BMA MAN MAN NAG GAL NAG 0.688679 0.90566
7 NAG BMA MAN MAN NAG GAL NAG GAL 0.682243 0.924528
8 NAG NAG NAG 0.680851 1
9 NAG NAG NAG NAG 0.680851 1
10 NAG NAG NAG NAG NAG NAG NAG 0.680851 1
11 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.661017 0.910714
12 NAG ASN NAG BMA MAN MAN NAG NAG 0.661017 0.894737
13 NAG NAG BMA MAN 0.656863 0.981132
14 C4W NAG FUC BMA MAN MAN NAG NAG 0.65 0.875
15 MAN MAN MAN NAG NAG 0.643564 0.90566
16 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.634783 0.90566
17 NAG NAG BMA MAN NAG 0.628571 0.924528
18 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.624 0.790323
19 NAG NAG BMA 0.616162 0.981132
20 NDG BMA MAN MAN NAG MAN MAN 0.603448 0.90566
21 NAG NAG BMA BMA 0.601942 0.981481
22 C4W NAG FUC BMA MAN MAN NAG 0.6 0.875
23 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.561404 0.849057
24 YZ0 MAN MAN NAG MAN 0.544643 0.851852
25 MMA MAN NAG MAN NAG NAG 0.541284 0.907407
26 C4W NAG FUC BMA MAN NAG 0.540323 0.875
27 NAG NAG MAN MAN MAN 0.539823 0.90566
28 BGC GAL NAG NAG GAL GAL 0.539823 0.90566
29 MMA MAN NAG 0.514563 0.851852
30 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.512821 0.849057
31 MAN MAN NAG 0.504762 0.886792
32 C4W NAG FUC BMA MAN NAG GAL 0.503937 0.790323
33 BMA Z4Y NAG 0.5 0.833333
34 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.5 0.809524
35 NAG GAL NAG 0.490566 0.90566
36 NAG BMA 0.484848 0.90566
37 YZ0 MAN Z4Y NAG MAN 0.484127 0.807018
38 NDG NAG NAG NAG NAG 0.480392 0.924528
39 NAG NAG NAG NAG NAG NAG 0.480392 0.924528
40 NAG NAG NAG NAG NAG NAG NAG NAG 0.480392 0.924528
41 NAG NAG NAG NAG NAG 0.480392 0.924528
42 GAL NAG GAL NAG GAL 0.477064 0.90566
43 BGC GAL NAG 0.476636 0.849057
44 NAG NOJ NAG 0.472727 0.894737
45 NAG NOJ NAG NAG 0.472727 0.912281
46 BGC GAL GLA NGA 0.468468 0.849057
47 NAG GAL NAG GAL NAG GAL 0.463636 0.924528
48 NAG GAL NAG GAL 0.463636 0.90566
49 Z4S NAG NAG 0.459459 0.859649
50 BMA MAN NAG 0.453704 0.849057
51 MAN NAG GAL 0.448598 0.849057
52 GAL NAG GAL 0.444444 0.849057
53 GDL NAG 0.441176 0.90566
54 C4W NAG FUC BMA MAN 0.440945 0.875
55 BGC GAL NGA 0.439252 0.849057
56 BGC FUC GAL NAG GAL 0.438017 0.867925
57 NAG BMA MAN MAN MAN MAN 0.436975 0.849057
58 NAG NGT NAG 0.434783 0.777778
59 BGC FUC GAL NAG 0.423729 0.867925
60 AMV NAG AMU NAG 0.423729 0.890909
61 MBG A2G 0.423077 0.851852
62 MAN NAG 0.421569 0.849057
63 GAL NGA 0.419048 0.867925
64 GLC GAL NAG GAL FUC A2G 0.418605 0.924528
65 BGC GAL NAG GAL FUC 0.418033 0.867925
66 Z3Q NGA 0.415929 0.777778
67 MAN BMA MAN MAN MAN MAN MAN 0.415254 0.62963
68 MBG NAG 0.413462 0.851852
69 6Y2 0.410256 0.720588
70 C4W NAG FUC BMA MAN NAG GAL SIA 0.408805 0.809524
71 MAN MAN MAN MAN MAN MAN MAN 0.408696 0.622642
72 GYP GZL NAG 0.408333 0.839286
73 BGC GAL NAG GAL FUC FUC 0.404762 0.886792
74 NDG GLA NAG GLC RAM 0.40458 0.924528
75 NDG NAG GLA NAG GLC RAM 0.40458 0.924528
76 C4W NAG FUC BMA 0.403226 0.875
77 1GN ACY GAL 1GN BGC ACY GAL BGC 0.401639 0.90566
78 NAA AMI NAA 0.401639 0.710145
79 AO3 0.401639 0.710145
80 UMG 0.4 0.816667
Similar Ligands (3D)
Ligand no: 1; Ligand: GDP; Similar ligands found: 93
No: Ligand Similarity coefficient
1 ADP MG 0.9864
2 GDP MG 0.9797
3 DAT 0.9680
4 ALF GDP 0.9549
5 A12 0.9524
6 BEF GDP 0.9486
7 AU1 0.9476
8 CUU 0.9442
9 SON 0.9417
10 TYD 0.9414
11 M7G 0.9411
12 ADP ALF 0.9391
13 ADP BEF 0.9391
14 ADP AF3 0.9391
15 BEF ADP 0.9383
16 GAP 0.9328
17 O02 0.9303
18 G5A 0.9285
19 AP2 0.9265
20 5AL 0.9252
21 8GD 0.9250
22 M7M 0.9212
23 AV2 0.9211
24 DAL AMP 0.9209
25 PRX 0.9194
26 UDP 0.9193
27 8LE 0.9188
28 SRP 0.9155
29 SAM 0.9145
30 A5A 0.9126
31 GJV 0.9116
32 NWZ 0.9106
33 CDP 0.9093
34 MGT 0.9090
35 YYY 0.9086
36 5CA 0.9069
37 XMP 0.9066
38 EO7 0.9060
39 SSA 0.9052
40 DSH 0.9051
41 71V 0.9041
42 2A5 0.8973
43 TBD 0.8937
44 CDP MG 0.8931
45 SAH 0.8927
46 IMU 0.8919
47 6RE 0.8917
48 J7C 0.8916
49 7D3 0.8915
50 8LH 0.8914
51 DUD 0.8888
52 NX8 0.8885
53 6CG 0.8882
54 ABM 0.8881
55 8X1 0.8861
56 FMP 0.8855
57 LMS 0.8847
58 8GM 0.8842
59 DTP 0.8842
60 D4D 0.8817
61 C8M 0.8813
62 EEM 0.8812
63 SFG 0.8795
64 8OP 0.8780
65 ADP PO3 0.8775
66 D5M 0.8773
67 IRP 0.8767
68 PAP 0.8765
69 HDV 0.8759
70 ATR 0.8755
71 APC 0.8746
72 N5O 0.8734
73 A3N 0.8728
74 AS 0.8705
75 ATY 0.8684
76 54H 0.8676
77 TSB 0.8674
78 ME8 0.8672
79 HF7 0.8667
80 6MA 0.8654
81 SAI 0.8651
82 DUN 0.8649
83 LSS 0.8640
84 5FU 0.8638
85 P5A 0.8634
86 8QN 0.8633
87 DZ4 0.8609
88 CNU 0.8603
89 NVA LMS 0.8600
90 FNU 0.8593
91 TKW 0.8580
92 MOD 0.8567
93 MSP 0.8549
Ligand no: 2; Ligand: NAG NAG BMA MAN MAN NAG NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6TKV; Ligand: NAG NAG BMA MAN MAN NAG NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6tkv.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6TKV; Ligand: GDP; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 6tkv.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5KY5 GDP 7.04225
2 5KXQ GDP 7.06215
3 5KXQ GDP 7.06215
4 5KY4 GDP 7.5
Pocket No.: 3; Query (leader) PDB : 6TKV; Ligand: GDP; Similar sites found with APoc: 7
This union binding pocket(no: 3) in the query (biounit: 6tkv.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5KY5 GDP 7.04225
2 5KXQ GDP 7.06215
3 5KXQ GDP 7.06215
4 5KXQ GDP 7.06215
5 5KXQ GDP 7.06215
6 5KY4 GDP 7.5
7 5KY9 GDP 10
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