-->
Receptor
PDB id Resolution Class Description Source Keywords
2ZBA 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF F. SPOROTRICHIOIDES TRI101 COMPLEXED WI COENZYME A AND T-2 FUSARIUM SPOROTRICHIOIDES ACETYLTRANSFERASE BAHD SUPERFAMILY TRICHOTHECENE DEOXYNIVT-2 ACETYL COA FUSARIUM TRI101 TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THE T TRICHOTHECENE 3-O-ACETYLTRANSFERASE FROM FUSARIUM SPOROTRICHIOIDES AND FUSARIUM GRAMINEARUM: KINETIC TO COMBATING FUSARIUM HEAD BLIGHT J.BIOL.CHEM. V. 283 1660 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:460;
A:461;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
COA A:462;
B:460;
C:460;
D:460;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
DMS B:462;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
GOL C:462;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZBA A:463;
B:461;
C:461;
D:461;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
464.505 C24 H32 O9 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZBA 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF F. SPOROTRICHIOIDES TRI101 COMPLEXED WI COENZYME A AND T-2 FUSARIUM SPOROTRICHIOIDES ACETYLTRANSFERASE BAHD SUPERFAMILY TRICHOTHECENE DEOXYNIVT-2 ACETYL COA FUSARIUM TRI101 TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THE T TRICHOTHECENE 3-O-ACETYLTRANSFERASE FROM FUSARIUM SPOROTRICHIOIDES AND FUSARIUM GRAMINEARUM: KINETIC TO COMBATING FUSARIUM HEAD BLIGHT J.BIOL.CHEM. V. 283 1660 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 2ZBA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 2ZBA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2ZBA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Ligand no: 2; Ligand: ZBA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ZBA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZBA; Ligand: COA; Similar sites found with APoc: 43
This union binding pocket(no: 1) in the query (biounit: 2zba.bio4) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5CX6 CDP 1.30719
2 3CV2 COA 1.52505
3 2HK9 SKM 2.18182
4 5ZBC FAD 2.43902
5 5G3U ITW 2.60047
6 5G3U FDA 2.60047
7 1WOG 16D 2.62295
8 2Y91 98J 2.64151
9 5XQL C2E 2.74914
10 3VSV XYS 2.83224
11 2FY3 CHT 2.83224
12 5I60 67W 2.98103
13 2RCU BUJ 3.05011
14 1JU4 BEZ 3.05011
15 2II3 CAO 3.05344
16 2OG2 MLI 3.06407
17 5MRH Q9Z 3.26797
18 5MUY MGT 3.35366
19 2ZZV LAC 3.60111
20 5GZZ GSH 3.66972
21 2H29 DND 3.7037
22 3B9Q MLI 3.97351
23 3UEC ALA ARG TPO LYS 4.10959
24 3DOO SKM 4.33213
25 1VHZ APR 4.54545
26 5LFV SIA GAL NAG 4.73186
27 6CAM BGC 5.36723
28 1T7Q COA 6.31808
29 1T7Q 152 6.31808
30 3PJU C2E 7.63052
31 1RE0 AFB 8.53659
32 3QDW NDG 9.09091
33 3QDY CBS 9.09091
34 3QDX CBS 9.09091
35 3QDV NDG 9.09091
36 3QDU CBS CBS 9.09091
37 2EV9 SKM 9.12547
38 1PTR PRB 10
39 4Z2S NDG 11.9718
40 4Z2S NAG 11.9718
41 3R96 ACO 13.2979
42 3R96 AMP 13.2979
43 1MFI FHC 25.4386
Pocket No.: 2; Query (leader) PDB : 2ZBA; Ligand: ZBA; Similar sites found with APoc: 17
This union binding pocket(no: 2) in the query (biounit: 2zba.bio4) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3WUC GLC GAL 1.45985
2 5A5W GUO 3.16206
3 4D42 NAP 3.5461
4 4D42 W0I 3.5461
5 1Q23 FUA 3.65297
6 3CAQ NDP 3.98773
7 4LA7 A1O 4.14508
8 5ML3 DL3 4.69799
9 1RM0 D6P 5.44662
10 6D3U 83Y BDP 83Y GCD 5.61056
11 4K55 H6P 5.64516
12 2JAP J01 6.07287
13 2XG5 EC5 8.09249
14 2XG5 EC2 8.09249
15 2P1O IHP 11.875
16 2P1O NLA 11.875
17 5KJW 53C 28.8056
Pocket No.: 3; Query (leader) PDB : 2ZBA; Ligand: COA; Similar sites found with APoc: 9
This union binding pocket(no: 3) in the query (biounit: 2zba.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4TQK NAG 1.97044
2 1U7Z PMT 2.21239
3 1ZDQ MSM 2.38095
4 4P83 U5P 2.74725
5 1GVF PGH 3.14685
6 5MB4 NAG 3.49127
7 4QLX KTC 4.56621
8 2FJK 13P 4.59016
9 1KGI T4A 9.44882
Pocket No.: 4; Query (leader) PDB : 2ZBA; Ligand: ZBA; Similar sites found with APoc: 15
This union binding pocket(no: 4) in the query (biounit: 2zba.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5UL5 8D7 1.30719
2 5UL5 PLM 1.30719
3 1B7H LYS NLE LYS 1.30719
4 5JKG 6LF 2.2508
5 4OCV NDG 2.37467
6 3E7O 35F 2.5
7 2HAW 2PN 2.589
8 3VHE 42Q 3.34262
9 2JBM SRT 3.67893
10 3Q8G PEE 4.0625
11 4B1L FRU 4.24242
12 3KO0 TFP 4.9505
13 1RM0 NAI 5.44662
14 4I9B 1KA 5.44662
15 3E85 BSU 13.9241
Pocket No.: 5; Query (leader) PDB : 2ZBA; Ligand: ZBA; Similar sites found with APoc: 21
This union binding pocket(no: 5) in the query (biounit: 2zba.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4F4P 0SB 1.4652
2 4ZUL UN1 1.52505
3 1TZD ADP 2.18182
4 1S20 TLA 2.35294
5 3N75 G4P 2.39651
6 1PCA CIT 2.48139
7 2OFV 242 2.52708
8 5G09 6DF 2.61438
9 2JLD AG1 2.85714
10 5H1W LER 3.05011
11 5Y77 KYN 3.05011
12 5AE9 OKO 3.05011
13 2ZPT A3P 3.72881
14 5JGA 6KC 4.44444
15 3X01 AMP 4.58015
16 4Y8D 49J 5
17 1XON PIL 5.15759
18 3HB5 E2B 5.19878
19 1RJW ETF 6.48968
20 5H20 GLC 7.20721
21 3BRN SRO 15.2866
Pocket No.: 6; Query (leader) PDB : 2ZBA; Ligand: COA; Similar sites found with APoc: 7
This union binding pocket(no: 6) in the query (biounit: 2zba.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4UP4 NDG 2.74314
2 4WQQ MAN 3.5461
3 3QX9 ATP 3.62319
4 5VKM GAL SIA 4.01235
5 4LH7 1X8 4.33437
6 1A99 PUT 6.10465
7 3WH2 FLC 11.5646
Pocket No.: 7; Query (leader) PDB : 2ZBA; Ligand: COA; Similar sites found with APoc: 1
This union binding pocket(no: 7) in the query (biounit: 2zba.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5A9A UTP 2.88066
Pocket No.: 8; Query (leader) PDB : 2ZBA; Ligand: ZBA; Similar sites found with APoc: 16
This union binding pocket(no: 8) in the query (biounit: 2zba.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4RSE PLM 1.30719
2 1ZOA 140 1.52505
3 6B5G CQY 1.52505
4 6B5G NAD 1.52505
5 1DKU AP2 1.89274
6 3VZ3 SSN 1.96937
7 2XK9 XK9 2.17391
8 3V99 ACD 2.17865
9 5N5S NAP 2.39651
10 4OHU 2TK 3.11419
11 4OHU NAD 3.11419
12 1OGD RIP 4.58015
13 3B8X G4M 4.61538
14 4CUB GAL NAG 4.91803
15 4IPN 1FT 5.22876
16 1UVC STE 17.5824
APoc FAQ
Feedback