Receptor
PDB id Resolution Class Description Source Keywords
1S4P 2.01 Å EC: 2.4.1.131 CRYSTAL STRUCTURE OF YEAST ALPHA1,2-MANNOSYLTRANSFERASE KRE2 TERNARY COMPLEX WITH GDP/MN AND METHYL-ALPHA-MANNOSIDE ACCE SACCHAROMYCES CEREVISIAE ALPHA/BETA FOLD NUCLEOTIDE-BINDING DOMAIN ROSSMANN FOLD TCOMPLEX WITH GDP-MN2+ AND METHYL-ALPHA-MANNOSIDE ACCEPTOR TRANSFERASE
Ref.: STRUCTURE OF KRE2P/MNT1P: A YEAST {ALPHA}1,2-MANNOSYLTRANSFERASE INVOLVED IN MANNOPRO BIOSYNTHESIS J.BIOL.CHEM. V. 279 17921 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:910;
A:911;
B:907;
B:908;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EPE A:903;
B:913;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
GDP A:904;
B:905;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
MMA A:901;
B:902;
Valid;
Valid;
none;
none;
submit data
194.182 C7 H14 O6 CO[C@...
MN A:909;
B:906;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG NAG B:700;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN MAN MAN MAN MAN A:700;
Part of Protein;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1S4P 2.01 Å EC: 2.4.1.131 CRYSTAL STRUCTURE OF YEAST ALPHA1,2-MANNOSYLTRANSFERASE KRE2 TERNARY COMPLEX WITH GDP/MN AND METHYL-ALPHA-MANNOSIDE ACCE SACCHAROMYCES CEREVISIAE ALPHA/BETA FOLD NUCLEOTIDE-BINDING DOMAIN ROSSMANN FOLD TCOMPLEX WITH GDP-MN2+ AND METHYL-ALPHA-MANNOSIDE ACCEPTOR TRANSFERASE
Ref.: STRUCTURE OF KRE2P/MNT1P: A YEAST {ALPHA}1,2-MANNOSYLTRANSFERASE INVOLVED IN MANNOPRO BIOSYNTHESIS J.BIOL.CHEM. V. 279 17921 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1S4P - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1S4O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1S4P - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1S4O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1S4P - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1S4O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 168
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 GKE 0.747253 0.961039
18 GDD 0.747253 0.961039
19 GDC 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GDR 0.72043 0.961039
26 GFB 0.72043 0.961039
27 GTG 0.72043 0.936709
28 G4P 0.715909 0.986486
29 6CK 0.712766 0.936709
30 G3A 0.712766 0.973684
31 GDP AF3 0.7 0.888889
32 GDP ALF 0.7 0.888889
33 ALF GDP 0.7 0.888889
34 YGP 0.698925 0.901235
35 JB2 0.697917 0.961039
36 GKD 0.697917 0.961039
37 GPD 0.690722 0.925
38 GDX 0.690722 0.973684
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 GDP 7MG 0.636364 0.911392
44 DGI 0.636364 0.923077
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
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 2GP 0.574713 0.96
66 FE9 0.570175 0.776596
67 GCP G 0.56 0.921053
68 KBJ 0.558824 0.797619
69 G A A A 0.553571 0.923077
70 A G 0.553571 0.935065
71 MGP 0.553191 0.961039
72 U A G G 0.548673 0.935065
73 G4M 0.548387 0.880952
74 6G0 0.547368 0.961039
75 G1R G1R 0.542373 0.924051
76 P2G 0.527473 0.883117
77 PGD O 0.525 0.850575
78 ADP 0.522222 0.92
79 R5I 0.520833 0.946667
80 R7I 0.520833 0.946667
81 GGM 0.517544 0.901235
82 DGP 0.516484 0.910256
83 DG 0.516484 0.910256
84 P1G 0.516129 0.871795
85 G U 0.513274 0.9
86 G1G 0.508475 0.925
87 IMP 0.505495 0.959459
88 AKW 0.504425 0.890244
89 G C 0.504348 0.9
90 GPC 0.491525 0.879518
91 G7M 0.483871 0.948052
92 6AD 0.479592 0.841463
93 ATP 0.473684 0.92
94 HEJ 0.473684 0.92
95 G2Q 0.471154 0.961039
96 AQP 0.46875 0.92
97 5FA 0.46875 0.92
98 GTA 0.468468 0.936709
99 7DD 0.468085 0.906667
100 G G G RPC 0.466102 0.875
101 SGP 0.463158 0.82716
102 01G 0.462963 0.902439
103 JSQ 0.459184 0.873418
104 HFD 0.459184 0.873418
105 AP5 0.457447 0.894737
106 B4P 0.457447 0.894737
107 A2D 0.456522 0.894737
108 6YZ 0.455446 0.896104
109 G G G C 0.455285 0.9125
110 ANP 0.454545 0.896104
111 5GP 5GP 0.454545 0.883117
112 ACQ 0.454545 0.896104
113 AT4 0.452632 0.884615
114 A G C C 0.451613 0.911392
115 APC G U 0.45082 0.886076
116 PRT 0.449541 0.959459
117 G U34 0.449153 0.888889
118 DG DG 0.448598 0.865854
119 ITT 0.447917 0.868421
120 BA3 0.446809 0.894737
121 35G 0.444444 0.933333
122 PCG 0.444444 0.933333
123 C2E 0.444444 0.921053
124 MGO 0.441176 0.864198
125 AN2 0.4375 0.907895
126 G C C C 0.4375 0.924051
127 NO7 0.436893 0.860759
128 M33 0.43299 0.883117
129 UCG 0.429688 0.911392
130 A G U 0.42963 0.888889
131 ACP 0.428571 0.896104
132 MGQ 0.424528 0.935897
133 7DT 0.424242 0.906667
134 APR 0.424242 0.894737
135 AR6 0.424242 0.894737
136 93A 0.42268 0.833333
137 A4P 0.420168 0.869048
138 AGS 0.42 0.873418
139 AD9 0.42 0.896104
140 G8D 0.42 0.875
141 SAP 0.42 0.873418
142 CA0 0.418367 0.896104
143 ATF 0.417476 0.884615
144 AGO 0.414634 0.888889
145 A G U U 0.414286 0.888889
146 KG4 0.414141 0.896104
147 NIA 0.413043 0.82716
148 MGV 0.412844 0.890244
149 T99 0.411765 0.884615
150 TAT 0.411765 0.884615
151 A1R 0.411215 0.839506
152 ADQ 0.411215 0.871795
153 RGT 0.410714 0.909091
154 CGP 0.409836 0.86747
155 HQG 0.409524 0.907895
156 C1Z 0.409091 0.986486
157 AMP 0.408602 0.893333
158 A 0.408602 0.893333
159 UP5 0.40678 0.873418
160 C2R 0.406593 0.906667
161 AMZ 0.406593 0.918919
162 JBT 0.405882 0.778947
163 A22 0.40566 0.907895
164 25L 0.405405 0.907895
165 ADX 0.40404 0.809524
166 8OD 0.401961 0.946667
167 4TC 0.4 0.851852
168 50T 0.4 0.883117
Ligand no: 2; Ligand: MMA; Similar ligands found: 168
No: Ligand ECFP6 Tc MDL keys Tc
1 GYP 1 1
2 MBG 1 1
3 MMA 1 1
4 AMG 1 1
5 GAL MBG 0.613636 0.914286
6 M13 0.613636 0.914286
7 MMA MAN 0.613636 0.914286
8 MAN MMA 0.613636 0.914286
9 DR5 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 JRV 0.5625 0.842105
14 MA3 0.525 0.914286
15 XGP 0.512195 0.674419
16 GL1 0.512195 0.674419
17 G1P 0.512195 0.674419
18 M1P 0.512195 0.674419
19 BQZ 0.5 0.878788
20 DEG 0.488889 0.837838
21 BMA MAN 0.478261 0.857143
22 BGC GLC 0.478261 0.857143
23 2M4 0.478261 0.857143
24 WZ1 0.470588 0.842105
25 MAG 0.468085 0.727273
26 2F8 0.468085 0.727273
27 EBQ 0.468085 0.861111
28 RGG 0.466667 0.909091
29 MAN MMA MAN 0.464286 0.914286
30 BGC SGC SGC GTM 0.462963 0.842105
31 BGC SSG SSG SGC MA3 0.462963 0.842105
32 GAL MGC 0.462963 0.680851
33 GLC SSG SGC SGC MA3 0.462963 0.842105
34 GAT 0.458333 0.674419
35 JZR 0.458333 0.775
36 BHG 0.458333 0.775
37 GLC HEX 0.458333 0.775
38 JSV 0.45098 0.842105
39 SMD 0.45098 0.842105
40 2GS 0.45 1
41 KGM 0.44898 0.756098
42 B7G 0.44898 0.756098
43 LAT GLA 0.446809 0.857143
44 2M8 0.446809 0.882353
45 GTM BGC BGC 0.442623 0.842105
46 HSJ 0.44 0.756098
47 BOG 0.44 0.756098
48 BNG 0.44 0.756098
49 GLC GLO 0.44 0.909091
50 R1P 0.439024 0.6
51 LBT 0.4375 0.857143
52 CBK 0.4375 0.857143
53 NGR 0.4375 0.857143
54 BGC GAL 0.4375 0.857143
55 GLC GLC 0.4375 0.857143
56 N9S 0.4375 0.857143
57 GLA GAL 0.4375 0.857143
58 MAN GLC 0.4375 0.857143
59 GLA GLA 0.4375 0.857143
60 CBI 0.4375 0.857143
61 56N 0.4375 0.805556
62 LAT 0.4375 0.857143
63 BMA BMA 0.4375 0.857143
64 LB2 0.4375 0.857143
65 MAL 0.4375 0.857143
66 M3M 0.4375 0.857143
67 B2G 0.4375 0.857143
68 BGC BMA 0.4375 0.857143
69 GAL BGC 0.4375 0.857143
70 MAB 0.4375 0.857143
71 GLC BGC 0.4375 0.857143
72 BMA GAL 0.4375 0.857143
73 GLC GAL 0.4375 0.857143
74 EBG 0.4375 0.810811
75 GAL FUC 0.431373 0.857143
76 MBG A2G 0.431034 0.680851
77 A2G MBG 0.431034 0.680851
78 GAL GAL 0.428571 0.857143
79 GLA BGC 0.428571 0.857143
80 MAN BMA 0.428571 0.857143
81 LAK 0.428571 0.857143
82 BMA GLA 0.428571 0.857143
83 MLB 0.428571 0.857143
84 GLA BMA 0.428571 0.857143
85 GAL GLC 0.428571 0.857143
86 BGC GLA 0.428571 0.857143
87 MAN MAN 0.428571 0.857143
88 GLA GLC 0.428571 0.857143
89 WZ2 0.42623 0.842105
90 GLA EGA 0.423077 0.861111
91 GAL PHB 0.423077 0.783784
92 T6P 0.42 0.666667
93 RZM 0.42 0.666667
94 BGC BGC SGC MGL 0.415385 0.842105
95 MGL SGC GLC GLC 0.415385 0.842105
96 MGL SGC BGC BGC 0.415385 0.842105
97 BMA IFM 0.415094 0.652174
98 IFM BGC 0.415094 0.652174
99 IFM BMA 0.415094 0.652174
100 BMA BMA MAN 0.415094 0.857143
101 MAN MAN BMA 0.415094 0.857143
102 VAM 0.415094 0.842105
103 HNV 0.413793 0.842105
104 NAG MBG 0.413793 0.680851
105 WZ3 0.412698 0.888889
106 BMA MAN MAN 0.411765 0.857143
107 DOM 0.411765 0.810811
108 MAN 7D1 0.411765 0.810811
109 SWE 0.411765 0.789474
110 GLC GLC GLC GLC BGC 0.411765 0.857143
111 BGC BGC 0.411765 0.833333
112 SUC 0.411765 0.789474
113 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
114 MFB 0.410256 0.727273
115 MFU 0.410256 0.727273
116 BGC BGC BGC BGC BGC BGC BGC 0.407407 0.857143
117 3X8 0.407407 0.763158
118 XLM 0.407407 0.888889
119 GLC DMJ 0.407407 0.638298
120 BGC BGC BGC BGC BGC 0.407407 0.857143
121 NOJ BGC 0.407407 0.638298
122 FK9 0.407407 0.756098
123 DMJ MAN 0.407407 0.638298
124 CTR 0.403846 0.857143
125 GLC BGC GLC 0.403846 0.857143
126 GAL GAL GAL 0.403846 0.857143
127 BMA BMA BMA 0.403846 0.857143
128 BGC BGC GLC 0.403846 0.857143
129 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
130 CEX 0.403846 0.857143
131 GLA GAL GLC 0.403846 0.857143
132 MTT 0.403846 0.857143
133 GLC GLC GLC GLC GLC 0.403846 0.857143
134 MAN BMA BMA BMA BMA BMA 0.403846 0.857143
135 CE5 0.403846 0.857143
136 B4G 0.403846 0.857143
137 CEY 0.403846 0.857143
138 GLC BGC BGC 0.403846 0.857143
139 BGC GLC GLC GLC 0.403846 0.857143
140 BMA MAN BMA 0.403846 0.857143
141 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
142 CT3 0.403846 0.857143
143 GLC BGC BGC BGC 0.403846 0.857143
144 BGC BGC BGC 0.403846 0.857143
145 BGC GLC GLC GLC GLC 0.403846 0.857143
146 MAN BMA BMA BMA BMA 0.403846 0.857143
147 BGC GLC GLC 0.403846 0.857143
148 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
149 CTT 0.403846 0.857143
150 BMA BMA BMA BMA BMA 0.403846 0.857143
151 GLC GAL GAL 0.403846 0.857143
152 DXI 0.403846 0.857143
153 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
154 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
155 CE6 0.403846 0.857143
156 SER MAN 0.403846 0.697674
157 MLR 0.403846 0.857143
158 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
159 CE8 0.403846 0.857143
160 U63 0.403846 0.769231
161 GLA GAL BGC 0.403846 0.857143
162 GLC BGC BGC BGC BGC 0.403846 0.857143
163 BGC BGC BGC GLC 0.403846 0.857143
164 MAN BMA BMA 0.403846 0.857143
165 MT7 0.403846 0.857143
166 BGC BGC BGC BGC 0.403846 0.857143
167 IFM MAN 0.4 0.652174
168 GLC 7LQ 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1S4P; Ligand: GDP; 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: 1s4p.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1S4P; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1s4p.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1S4P; Ligand: MMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1s4p.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1S4P; Ligand: MMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1s4p.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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