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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 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: 161
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 9GM 0.839506 0.973684
6 GNP 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 GKE 0.747253 0.961039
19 GDD 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 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
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 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
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 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Ligand no: 2; Ligand: MMA; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 MMA 1 1
2 GYP 1 1
3 AMG 1 1
4 MBG 1 1
5 MAN MMA 0.651163 0.914286
6 GAL MBG 0.613636 0.914286
7 M13 0.613636 0.914286
8 DR5 0.613636 0.914286
9 MMA MAN 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 MA3 0.525 0.914286
14 G1P 0.512195 0.674419
15 M1P 0.512195 0.674419
16 GL1 0.512195 0.674419
17 XGP 0.512195 0.674419
18 BQZ 0.5 0.878788
19 DEG 0.488889 0.837838
20 2M4 0.478261 0.857143
21 WZ1 0.470588 0.842105
22 MAG 0.468085 0.727273
23 EBQ 0.468085 0.861111
24 2F8 0.468085 0.727273
25 RGG 0.466667 0.909091
26 MAN MMA MAN 0.464286 0.914286
27 BGC SSG SSG SGC MA3 0.462963 0.842105
28 GLC SSG SGC SGC MA3 0.462963 0.842105
29 BGC SGC SGC GTM 0.462963 0.842105
30 GAL MGC 0.462963 0.680851
31 GAT 0.458333 0.674419
32 GLC HEX 0.458333 0.775
33 JZR 0.458333 0.775
34 BHG 0.458333 0.775
35 SMD 0.45098 0.842105
36 2GS 0.45 1
37 B7G 0.44898 0.756098
38 KGM 0.44898 0.756098
39 LAT GLA 0.446809 0.857143
40 2M8 0.446809 0.882353
41 GTM BGC BGC 0.442623 0.842105
42 BNG 0.44 0.756098
43 GLC GLO 0.44 0.909091
44 BOG 0.44 0.756098
45 HSJ 0.44 0.756098
46 R1P 0.439024 0.6
47 GLA GAL 0.4375 0.857143
48 GLC GAL 0.4375 0.857143
49 BGC BMA 0.4375 0.857143
50 LBT 0.4375 0.857143
51 LAT 0.4375 0.857143
52 EBG 0.4375 0.810811
53 MAL 0.4375 0.857143
54 MAN GLC 0.4375 0.857143
55 56N 0.4375 0.805556
56 GLA GLA 0.4375 0.857143
57 LB2 0.4375 0.857143
58 N9S 0.4375 0.857143
59 NGR 0.4375 0.857143
60 CBI 0.4375 0.857143
61 GAL BGC 0.4375 0.857143
62 M3M 0.4375 0.857143
63 MAB 0.4375 0.857143
64 BMA GAL 0.4375 0.857143
65 CBK 0.4375 0.857143
66 BGC GAL 0.4375 0.857143
67 B2G 0.4375 0.857143
68 GAL FUC 0.431373 0.857143
69 MBG A2G 0.431034 0.680851
70 A2G MBG 0.431034 0.680851
71 GLA BGC 0.428571 0.857143
72 GLC GLC 0.428571 0.857143
73 BGC GLA 0.428571 0.857143
74 MAN BMA 0.428571 0.857143
75 BMA MAN 0.428571 0.857143
76 MAN MAN 0.428571 0.857143
77 GLA GLC 0.428571 0.857143
78 BMA GLA 0.428571 0.857143
79 BGC GLC 0.428571 0.857143
80 GLC BGC 0.428571 0.857143
81 LAK 0.428571 0.857143
82 GAL GAL 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 WZ2 0.42623 0.842105
87 GLA EGA 0.423077 0.861111
88 GAL PHB 0.423077 0.783784
89 T6P 0.42 0.666667
90 RZM 0.42 0.666667
91 BGC BGC SGC MGL 0.415385 0.842105
92 MGL SGC GLC GLC 0.415385 0.842105
93 MGL SGC BGC BGC 0.415385 0.842105
94 BMA IFM 0.415094 0.652174
95 MAN MAN BMA 0.415094 0.857143
96 VAM 0.415094 0.842105
97 IFM BMA 0.415094 0.652174
98 BMA BMA MAN 0.415094 0.857143
99 IFM BGC 0.415094 0.652174
100 NAG MBG 0.413793 0.680851
101 HNV 0.413793 0.842105
102 WZ3 0.412698 0.888889
103 GLC GLC GLC 0.411765 0.857143
104 DOM 0.411765 0.810811
105 SWE 0.411765 0.789474
106 MAN MAN MAN 0.411765 0.857143
107 BGC BGC 0.411765 0.833333
108 BMA BMA 0.411765 0.833333
109 MAN 7D1 0.411765 0.810811
110 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
111 BMA MAN MAN 0.411765 0.857143
112 SUC 0.411765 0.789474
113 GLC GLC GLC GLC BGC 0.411765 0.857143
114 MFB 0.410256 0.727273
115 MFU 0.410256 0.727273
116 XLM 0.407407 0.888889
117 DMJ MAN 0.407407 0.638298
118 NOJ BGC 0.407407 0.638298
119 GLC DMJ 0.407407 0.638298
120 3X8 0.407407 0.763158
121 FK9 0.407407 0.756098
122 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
123 MTT 0.403846 0.857143
124 MT7 0.403846 0.857143
125 GLC BGC BGC BGC BGC 0.403846 0.857143
126 MLR 0.403846 0.857143
127 GLC BGC BGC BGC 0.403846 0.857143
128 BGC BGC BGC GLC 0.403846 0.857143
129 BGC BGC BGC BGC BGC 0.403846 0.857143
130 GLA GAL BGC 0.403846 0.857143
131 SER MAN 0.403846 0.697674
132 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
133 CEX 0.403846 0.857143
134 CE6 0.403846 0.857143
135 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
136 BMA BMA BMA 0.403846 0.857143
137 GLC GLC GLC GLC GLC 0.403846 0.857143
138 CTR 0.403846 0.857143
139 BMA MAN BMA 0.403846 0.857143
140 GLC GAL GAL 0.403846 0.857143
141 CE5 0.403846 0.857143
142 U63 0.403846 0.769231
143 BGC BGC BGC 0.403846 0.857143
144 CT3 0.403846 0.857143
145 GLA GAL GLC 0.403846 0.857143
146 DXI 0.403846 0.857143
147 BGC GLC GLC GLC 0.403846 0.857143
148 BGC BGC BGC BGC BGC BGC 0.403846 0.857143
149 GLC BGC GLC 0.403846 0.857143
150 MAN BMA BMA BMA BMA BMA 0.403846 0.857143
151 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
152 BGC GLC GLC GLC GLC 0.403846 0.857143
153 BGC BGC BGC BGC 0.403846 0.857143
154 CE8 0.403846 0.857143
155 CEY 0.403846 0.857143
156 MAN BMA BMA BMA BMA 0.403846 0.857143
157 BGC GLC GLC 0.403846 0.857143
158 BGC BGC GLC 0.403846 0.857143
159 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
160 CTT 0.403846 0.857143
161 GLC GLC BGC 0.403846 0.857143
162 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
163 GLC BGC BGC 0.403846 0.857143
164 MAN BMA BMA 0.403846 0.857143
165 B4G 0.403846 0.857143
166 BMA BMA BMA BMA BMA 0.403846 0.857143
167 GAL GAL GAL 0.403846 0.857143
168 GLC 7LQ 0.4 0.857143
169 IFM MAN 0.4 0.652174
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: 75
This union binding pocket(no: 1) in the query (biounit: 1s4p.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZI2 NAD 0.869565
2 1RJW ETF 0.884956
3 1JGT APC 1.72414
4 1JGT CMA 1.72414
5 1HYH NAD 1.94175
6 3THR C2F 2.38908
7 1MJH ATP 2.46914
8 3ZF8 GDP 2.62295
9 1JH7 UVC 2.6455
10 1PIG BGC 2.87356
11 3G6K FAD 2.92208
12 3G6K POP 2.92208
13 3BBH SFG 2.92683
14 3BBD SAH 2.92683
15 2BOS GLA GAL GLC NBU 2.94118
16 2BOS GLA GAL GLC 2.94118
17 1LDN NAD 3.16456
18 4R2M ANP 3.16456
19 4L9Z COA 3.53982
20 4L9Z OXL 3.53982
21 4JAL SAH 3.59281
22 3CKJ CIT 3.64742
23 1MXI SAH 3.75
24 2D7I UDP 4.02299
25 2C5S AMP 4.02299
26 4L2I FAD 4.18251
27 4L2I NAD 4.18251
28 3NK7 SAM 4.33213
29 1C4Q GLA GAL BGC 4.34783
30 2BO4 FLC 4.88506
31 5MM0 GDD 4.88506
32 3O7B SAH 4.91803
33 9LDT NAD 5.12048
34 1N07 ADP 5.52147
35 1TIW TFB 5.74713
36 1TIW FAD 5.74713
37 4O8A FAD 5.74713
38 3II1 BGC 5.74713
39 4CNG SAH 5.88235
40 5FAG PPI 6.03448
41 4J6W C 6.09756
42 1O94 AMP 6.25
43 1O97 AMP 6.25
44 1O97 FAD 6.25
45 5KF6 TFB 6.32184
46 5KF6 FAD 6.32184
47 5AJP UDP 6.6092
48 2FFU UDP 6.6092
49 5NDF LU2 6.6092
50 5NDF UDP 6.6092
51 1UZ4 IFL 6.6092
52 3HAZ FAD 6.6092
53 1UXG FUM 7.11974
54 1UXG NAD 7.11974
55 1EFV AMP 7.30159
56 1EFV FAD 7.30159
57 2FKA BEF 7.75194
58 1GPM AMP 7.75862
59 6EMU SAM 8.12183
60 4NMC FAD 8.62069
61 4NMC 2OP 8.62069
62 5JFL NAD 8.90805
63 3GYQ SAM 9.55882
64 5A7Y SAH 9.61539
65 5O96 SAM 9.79592
66 1VYP TNF 10.0575
67 5NIU 8YZ 11.7188
68 5N2F 8HW 12.0968
69 3HGM ATP 12.2449
70 1L5Y BEF 12.9032
71 4JK3 NAD 13.8996
72 4M1U MBG A2G 14.2857
73 2OQ2 A3P 17.2414
74 5AHW CMP 17.6871
75 5TWJ SAM 19.7531
Pocket No.: 2; Query (leader) PDB : 1S4P; Ligand: GDP; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 1s4p.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1SBR VIB 1
2 1C3V NDP 2.44898
3 4PLG NAI 3.29341
4 4PLG OXM 3.29341
5 5DCH 1YO 3.64583
6 3G6N MET ALA SER 3.66492
7 1XQP 8HG 3.90625
8 5NUF NAD 3.91566
9 5NUE NAD 3.91566
10 2FN8 RIP 3.9604
11 3WYJ H78 4.34783
12 4ELG 52I 4.81928
13 4ELG 52J 4.81928
14 2WUL GSH 5.9322
15 4XYM COA 6.08696
16 1R6N 434 6.16114
17 3ZPG 5GP 6.6092
18 1GPM CIT 7.75862
19 1ICP FMN 8.90805
20 4RYV ZEA 9.03226
21 2Y69 CHD 12.6984
22 5ZCO CHD 19.5652
23 5Z84 CHD 19.5652
Pocket No.: 3; Query (leader) PDB : 1S4P; Ligand: MMA; Similar sites found with APoc: 23
This union binding pocket(no: 3) in the query (biounit: 1s4p.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1SBR VIB 1
2 3THR C2F 2.38908
3 3ZF8 GDP 2.62295
4 1JH7 UVC 2.6455
5 3BBH SFG 2.92683
6 2BOS GLA GAL GLC NBU 2.94118
7 2BOS GLA GAL GLC 2.94118
8 3DTU DXC 3.44828
9 4JAL SAH 3.59281
10 3G6N MET ALA SER 3.66492
11 1XQP 8HG 3.90625
12 2D7I UDP 4.02299
13 2C5S AMP 4.02299
14 4L2I NAD 4.18251
15 1C4Q GLA GAL BGC 4.34783
16 2BO4 FLC 4.88506
17 2WUL GSH 5.9322
18 5FAG PPI 6.03448
19 1O94 AMP 6.25
20 3ZPG 5GP 6.6092
21 1GPM AMP 7.75862
22 4RYV ZEA 9.03226
23 5A7Y SAH 9.61539
Pocket No.: 4; Query (leader) PDB : 1S4P; Ligand: MMA; Similar sites found with APoc: 5
This union binding pocket(no: 4) in the query (biounit: 1s4p.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1RJW ETF 0.884956
2 1PIG BGC 2.87356
3 3II1 BGC 5.74713
4 2FKA BEF 7.75194
5 1L5Y BEF 12.9032
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