Receptor
PDB id Resolution Class Description Source Keywords
4DE9 1.79 Å NON-ENZYME: TRANSCRIPT_TRANSLATE LYTR-CPS2A-PSR FAMILY PROTEIN YWTF (TAGT) WITH BOUND OCTAPRE PYROPHOSPHATE LIPID BACILLUS SUBTILIS POSSIBLE ROLE IN WALL TECHOIC ACID SYNTHESIS MEMBRANE PROTE
Ref.: ATTACHMENT OF CAPSULAR POLYSACCHARIDE TO THE CELL W STREPTOCOCCUS PNEUMONIAE. MICROB DRUG RESIST V. 18 240 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VTP A:401;
Valid;
none;
submit data
722.911 C40 H68 O7 P2 CC(=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DE9 1.79 Å NON-ENZYME: TRANSCRIPT_TRANSLATE LYTR-CPS2A-PSR FAMILY PROTEIN YWTF (TAGT) WITH BOUND OCTAPRE PYROPHOSPHATE LIPID BACILLUS SUBTILIS POSSIBLE ROLE IN WALL TECHOIC ACID SYNTHESIS MEMBRANE PROTE
Ref.: ATTACHMENT OF CAPSULAR POLYSACCHARIDE TO THE CELL W STREPTOCOCCUS PNEUMONIAE. MICROB DRUG RESIST V. 18 240 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 4DE9 - VTP C40 H68 O7 P2 CC(=CCC/C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 4DE9 - VTP C40 H68 O7 P2 CC(=CCC/C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 4DE9 - VTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VTP; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 OTP 1 1
2 ZTP 1 1
3 GRG 1 0.975
4 FPP 1 0.975
5 VTP 1 1
6 GPP 0.911111 0.95
7 DSL 0.744681 0.925
8 0K3 0.744681 0.925
9 FJP 0.744681 0.9
10 FDF 0.727273 0.883721
11 FFF 0.714286 0.906977
12 FGG 0.590164 0.906977
13 FPF 0.57377 0.906977
14 2CF 0.57377 0.906977
15 10E 0.568627 0.6875
16 10D 0.568627 0.767442
17 MGM 0.5625 0.75
18 DMA 0.5625 0.825
19 A4S 0.558824 0.685185
20 3E9 0.555556 0.928571
21 FPS 0.551724 0.860465
22 GGS 0.551724 0.860465
23 H6P 0.54902 0.767442
24 FPQ 0.539683 0.808511
25 10G 0.538462 0.75
26 FII 0.507937 0.655172
27 GST 0.482759 0.837209
28 PS7 0.48 0.886364
29 FHP 0.473684 0.744186
30 1NH 0.457831 0.755102
31 0FV 0.442623 0.883721
32 LA6 0.442623 0.883721
33 749 0.428571 0.875
34 SZH 0.428571 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DE9; Ligand: VTP; Similar sites found: 134
This union binding pocket(no: 1) in the query (biounit: 4de9.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EPB REA 0.007031 0.42275 None
2 2CB8 MYA 0.03034 0.41263 None
3 4GJY OGA 0.001393 0.48266 1.2766
4 1Y42 TYR 0.02837 0.41196 1.3986
5 5LY2 OGA 0.02524 0.41429 1.5748
6 4IMO PWZ 0.01679 0.42416 1.70455
7 3B6R ADP 0.01279 0.41045 1.74825
8 4K91 SIN 0.01381 0.40528 1.74825
9 1H8S AIC 0.007664 0.4375 1.98413
10 1ZZ7 S0H 0.02193 0.41795 2.0202
11 3BJE URA 0.004244 0.45745 2.0979
12 4TS1 TYR 0.0201 0.41998 2.0979
13 2FCU AKG 0.02081 0.41919 2.0979
14 4D52 GIV 0.02596 0.41541 2.0979
15 4OCT AKG 0.00121 0.47348 2.25225
16 2UZ2 BTN 0.01608 0.40574 2.30769
17 1FAO 4IP 0.03591 0.40644 2.38095
18 3FW9 SLX 0.0006453 0.46258 2.44755
19 4RDL FUC GAL NDG FUC 0.007755 0.44513 2.44755
20 2QES ADE 0.01314 0.42992 2.68199
21 4BG4 ADP 0.008122 0.41623 2.7972
22 1EXF GLY 0.02294 0.42014 2.89256
23 2YIP YIO 0.03258 0.41978 2.89855
24 1GPM AMP 0.03618 0.41272 3.14685
25 1YKD CMP 0.01163 0.409 3.14685
26 5H9P TD2 0.02403 0.41583 3.16456
27 4RFR RHN 0.01117 0.40655 3.44828
28 3WV6 GAL BGC 0.0006367 0.4816 3.4965
29 3WV6 GAL GLC 0.005616 0.43584 3.4965
30 5X7Q GLC GLC GLC GLC 0.02933 0.40772 3.4965
31 2CYB TYR 0.0403 0.4062 3.4965
32 5X7Q GLC GLC GLC GLC GLC 0.03144 0.40535 3.4965
33 4MUV PCG 0.01495 0.41071 3.52113
34 3QPB URA 0.01946 0.41927 3.5461
35 1I82 BGC BGC 0.00516 0.45425 3.7037
36 4DSU BZI 0.02468 0.41399 3.7037
37 5JJU AMP 0.01661 0.41211 3.84615
38 4YJK URA 0.007184 0.43673 3.96825
39 3MTX PGT 0.002439 0.40687 3.97351
40 3T2W BTN 0.02743 0.40485 4.09836
41 5J75 6GQ 0.01524 0.40685 4.16667
42 2XMY CDK 0.004546 0.42252 4.1958
43 3PUR 2HG 0.03932 0.40701 4.1958
44 3OCP CMP 0.02777 0.40458 4.31655
45 5FQK 6NT 0.04503 0.40196 4.46097
46 3WG3 A2G GAL NAG FUC 0.03598 0.40248 4.49438
47 1H3F TYE 0.00184 0.48311 4.54545
48 2R5V HHH 0.01349 0.4166 4.54545
49 5LXB 7A9 0.04246 0.40009 4.54545
50 3CM2 X23 0.03494 0.40893 4.61538
51 1ULE GLA GAL NAG 0.02315 0.41606 4.66667
52 5MOB A8S 0.02493 0.40697 4.74138
53 3JQ3 ADP 0.003686 0.44906 4.8951
54 1OLM VTQ 0.002143 0.41584 4.8951
55 1WW5 SGA BGC 0.03079 0.41208 5
56 3QRC SCR 0.005965 0.44683 5.09554
57 5DG2 GAL GLC 0.0008948 0.47206 5.18518
58 4ZU4 4TG 0.01372 0.40251 5.40541
59 5F5R ANP 0.01072 0.42993 5.46218
60 5LUN OGA 0.01027 0.43554 5.59441
61 5HZX 2GE 0.007972 0.43212 5.68182
62 5X20 AOT 0.02427 0.41629 5.76923
63 3RDO BTN 0.02258 0.40201 5.88235
64 2VFT SOR 0.005764 0.43925 5.94406
65 2XN5 FUN 0.006883 0.43535 5.94406
66 5VNF VAL THR SER VAL VAL 0.01409 0.42376 5.94406
67 1A78 TDG 0.003147 0.46046 5.97015
68 4URN NOV 0.0307 0.41011 6.22222
69 4WVW SLT 0.003146 0.46147 6.25
70 3SAO NKN 0.01669 0.41585 6.25
71 4P25 FUC GAL NAG FUC 0.01423 0.42353 6.29371
72 3CBC DBS 0.02184 0.41882 6.29371
73 4K55 H6P 0.005172 0.44906 6.45161
74 3AJH BL3 0.01545 0.40016 6.45161
75 2OQ5 BEN 0.02539 0.41728 6.46552
76 4XIZ LPP 0.001829 0.40162 6.47059
77 3KYF 5GP 5GP 0.02551 0.40646 6.49351
78 5CHR 4NC 0.005106 0.45499 6.56934
79 2WA4 069 0.001123 0.46989 6.64336
80 2XUM OGA 0.003368 0.46208 6.64336
81 3P3N AKG 0.004482 0.45528 6.64336
82 4B7E OGA 0.005228 0.45285 6.64336
83 5F7J ADE 0.007437 0.44384 6.64336
84 1W6P NDG GAL 0.01569 0.42666 6.64336
85 3TDC 0EU 0.02503 0.42473 6.64336
86 5KJW 53C 0.01968 0.42084 6.64336
87 3LGS ADE 0.007099 0.44607 6.74157
88 2ZHL NAG GAL GAL NAG 0.004681 0.43933 6.75676
89 5M6N 7H9 0.01882 0.42434 6.77966
90 3M3E GAL A2G NPO 0.006228 0.43719 6.8323
91 5E13 5J9 0.03308 0.40728 6.8323
92 5JSP DQY 0.002705 0.46936 6.96517
93 5C9J DAO 0.003768 0.44858 7.07071
94 2J5B TYE 0.01961 0.41433 7.34266
95 2YKL NLD 0.02707 0.40155 7.54717
96 1P0Z FLC 0.04837 0.40326 7.63359
97 4WOE ADP 0.001881 0.47794 7.69231
98 3QDY A2G GAL 0.01729 0.42531 7.69231
99 4Y24 TD2 0.01987 0.412 7.79221
100 5DYO FLU 0.03315 0.41052 7.79817
101 4IAW LIZ 0.01727 0.4151 7.97872
102 4MA7 P2Z 0.02417 0.41033 7.98122
103 4RT1 C2E 0.01725 0.40429 8.03571
104 1QY1 PRZ 0.007975 0.40687 8.04598
105 2C1P FNZ 0.03286 0.40083 8.25688
106 5MX4 HPA 0.005681 0.44988 8.58369
107 2HZQ STR 0.03305 0.41155 8.62069
108 3KFF XBT 0.00868 0.43944 8.64198
109 3KFF ZBT 0.00868 0.43944 8.64198
110 3EW2 BTN 0.01686 0.41971 8.88889
111 3OYW TDG 0.01196 0.43203 8.95522
112 4J25 OGA 0.01079 0.4357 9.17031
113 2G30 ALA ALA PHE 0.0002082 0.4588 9.30233
114 1SLT NDG GAL 0.005715 0.44955 9.70149
115 4Z28 BTN 0.02228 0.40946 9.70149
116 2QL9 CIT 0.004803 0.44674 10.9827
117 4GGZ BTN 0.02708 0.40154 11.3043
118 1GG6 APL 0.02663 0.40702 11.3402
119 5F6U 5VK 0.0008648 0.50057 11.465
120 5L9V OGA 0.01596 0.41684 11.5079
121 1H2M OGA 0.003063 0.46259 11.5385
122 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.002599 0.43524 13.2743
123 2ET1 GLV 0.01898 0.42249 13.4328
124 5H9Q TD2 0.001699 0.46887 13.5484
125 1OGZ EQU 0.02327 0.40483 13.6
126 1H2K OGA 0.003007 0.46321 14.6341
127 4MA6 28E 0.008756 0.43924 14.6497
128 1N5S ADL 0.002007 0.44844 15.1786
129 2YMZ LAT 0.001828 0.45361 15.3846
130 1C1L GAL BGC 0.004152 0.45587 16.7883
131 4WGF HX2 0.0221 0.4245 17.0732
132 5KEW 6SB 0.006706 0.44698 19.4444
133 2BCG GER 0.02469 0.41106 20.2797
134 2XXP DSL 0.0000000003181 0.46185 45.8042
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