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Receptor
PDB id Resolution Class Description Source Keywords
5JPH 1.46 Å EC: 2.3.1.- STRUCTURE OF A GNAT ACETYLTRANSFERASE SACOL1063 FROM STAPHYL AUREUS IN COMPLEX WITH COA STAPHYLOCOCCUS AUREUS ACETYLTRANSFERASE GCN5-RELATED N-ACETYLTRANSFERASE GNAT PACETYLATION STRUCTURAL GENOMICS PSI-BIOLOGY CENTER FOR SGENOMICS OF INFECTIOUS DISEASES CSGID TRANSFERASE
Ref.: INSIGHT INTO THE 3D STRUCTURE AND SUBSTRATE SPECIFI PREVIOUSLY UNCHARACTERIZED GNAT SUPERFAMILY ACETYLTRANSFERASES FROM PATHOGENIC BACTERIA. BIOCHIM.BIOPHYS.ACTA V.1865 55 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:201;
A:202;
C:201;
B:201;
C:202;
B:202;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
CL A:203;
C:203;
B:203;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JPH 1.46 Å EC: 2.3.1.- STRUCTURE OF A GNAT ACETYLTRANSFERASE SACOL1063 FROM STAPHYL AUREUS IN COMPLEX WITH COA STAPHYLOCOCCUS AUREUS ACETYLTRANSFERASE GCN5-RELATED N-ACETYLTRANSFERASE GNAT PACETYLATION STRUCTURAL GENOMICS PSI-BIOLOGY CENTER FOR SGENOMICS OF INFECTIOUS DISEASES CSGID TRANSFERASE
Ref.: INSIGHT INTO THE 3D STRUCTURE AND SUBSTRATE SPECIFI PREVIOUSLY UNCHARACTERIZED GNAT SUPERFAMILY ACETYLTRANSFERASES FROM PATHOGENIC BACTERIA. BIOCHIM.BIOPHYS.ACTA V.1865 55 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 5JPH - 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 30 families.
1 5JPH - 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 29 families.
1 5JPH - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: 122
This union binding pocket(no: 1) in the query (biounit: 5jph.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1P0H ACO None
2 1P0H COA None
3 4QC6 30N None
4 1JGS SAL None
5 5URY PAM None
6 3GD8 GOL None
7 5KTC FUH None
8 5KTC COA None
9 1YRE COA None
10 5GVR LMR None
11 4WG0 CHD None
12 4KFU ACP None
13 5Y02 HBX None
14 2FT0 ACO None
15 4R2I ANP None
16 1KZL CRM None
17 6BA2 7KM 1.38889
18 3PMA SCR 1.38889
19 3G2Y GF4 1.38889
20 2ZFN ACO 1.38889
21 3CZ7 ACO 1.38889
22 2IL4 COA 1.94175
23 1PUA COA 2.08333
24 2VZZ SCA 2.08333
25 4UWJ MYA 2.08333
26 4UWJ 7L5 2.08333
27 2YNE NHW 2.08333
28 2YNE YNE 2.08333
29 2ZW5 COA 2.08333
30 2YNC YNC 2.08333
31 3C3N FMN 2.08333
32 2VBQ BSJ 2.77778
33 4H6U ACO 2.77778
34 4B5P ACO 2.77778
35 1GXU 2HP 3.2967
36 1N71 COA 3.47222
37 4NSQ COA 3.47222
38 1CM0 COA 3.47222
39 1QSM ACO 3.47222
40 4KOT CE3 3.47222
41 3TO7 COA 3.47222
42 3TE4 ACO 3.47222
43 1NF8 BOG 3.47222
44 4V3I ASP LEU THR ARG PRO 3.47222
45 2R4V GSH 4.16667
46 5H86 BCO 4.16667
47 3D2M COA 4.16667
48 3R96 AMP 4.16667
49 3R96 ACO 4.16667
50 2OG2 MLI 4.16667
51 3B9Q MLI 4.16667
52 3BIY 01K 4.16667
53 3BPX SAL 4.16667
54 5K04 COA 4.86111
55 4RI1 ACO 4.86111
56 4JZ8 CIT 4.86111
57 4B9E FAH 4.86111
58 1BOB ACO 5.55556
59 4PSW COA 5.55556
60 4LOC OXM 5.55556
61 3ZJ0 ACO 6.25
62 4R57 ACO 6.25
63 2WSA 646 6.25
64 2WSA MYA 6.25
65 4XPL ACO 6.25
66 4NYT PC 6.25
67 4GAH 0ET 6.25
68 1RRC ADP 6.25
69 4UP4 NDG 6.94444
70 5MU6 MYA 7.63889
71 5MU6 KFK 7.63889
72 4C2X NHW 7.63889
73 2X1L MET 7.63889
74 2ITM XUL 7.63889
75 2AWN ADP 7.63889
76 5LXT GTP 8.33333
77 1IYK MYA 8.33333
78 6G96 ACO 9.72222
79 4CRZ ACO 9.72222
80 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 9.72222
81 2JEV NHQ 10.4167
82 5LS7 ACO 10.7843
83 1KUV CA5 11.1111
84 1CJW COT 11.1111
85 2B4B COA 11.1111
86 2B4D COA 11.1111
87 1IID NHM 11.1111
88 5GK9 ACO 12.5
89 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 12.5
90 5YGE GLU 13.8889
91 5YGE ACO 13.8889
92 5TVJ COA 13.8889
93 5TVJ 7LF 13.8889
94 3LRE ADP 13.8889
95 5FVJ ACO 14.5833
96 3K9U ACO 14.5833
97 1BO4 COA 15.2778
98 5XXS COA 15.9091
99 2CNT COA 15.9722
100 1WWZ ACO 16.6667
101 4AG9 COA 16.6667
102 5KF9 ACO 17.3611
103 5KF9 COA 17.3611
104 5KF9 NAG 17.3611
105 1I1D COA 18.0556
106 1I1D 16G 18.0556
107 4KVX ACO 19.4444
108 5HGZ ACO 20.1389
109 5HH0 COA 20.1389
110 2Q4V ACO 20.8333
111 3P2H NOO 21.5278
112 1TIQ COA 22.9167
113 1V0C KNC 23.6111
114 1V0C ACO 23.6111
115 3SXN COA 24.3056
116 4AVB ACO 25.6944
117 3F8K COA 27.0833
118 3KPE TM3 33.3333
119 3WR7 COA 34.0278
120 5W8E SXZ 38.1944
121 5W8E ADE 38.1944
122 2JDC CAO 43.75
Pocket No.: 2; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: 10
This union binding pocket(no: 2) in the query (biounit: 5jph.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3UDG TMP 1.38889
2 2GH9 MLR 1.38889
3 3QVP FAD 3.47222
4 2Z6D FMN 4.61538
5 2PR5 FMN 5.30303
6 3P7N FMN 5.55556
7 4GU5 FAD 6.94444
8 6AM8 TRP 8.33333
9 1V25 ANP 9.72222
10 4AG9 16G 16.6667
Pocket No.: 3; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 5jph.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1GPE FAD 2.08333
2 5X30 HCS 4.16667
3 3G3N TC8 4.86111
4 3CH6 311 5.55556
5 3CH6 NAP 5.55556
6 4K2G 1OQ 5.55556
Pocket No.: 4; Query (leader) PDB : 5JPH; Ligand: COA; 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: 5jph.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: 12
This union binding pocket(no: 5) in the query (biounit: 5jph.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1TUK PGM None
2 1JJ7 ADP None
3 5AHO TLA 3.47222
4 2XKO AKG 3.47222
5 4U00 ADP 4.16667
6 1UI0 URA 4.86111
7 2D2F ADP 4.86111
8 5TCI MLI 5.55556
9 1TV5 N8E 6.94444
10 5CQG 55C 6.94444
11 2XCU C5P 11.1111
12 1OYJ GSH 12.5
Pocket No.: 6; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: 2
This union binding pocket(no: 6) in the query (biounit: 5jph.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1OVD FMN 9.72222
2 1OVD ORO 9.72222
Pocket No.: 7; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: 3
This union binding pocket(no: 7) in the query (biounit: 5jph.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4IGH 1EA 6.25
2 4IGH ORO 6.25
3 4IGH FMN 6.25
Pocket No.: 8; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5jph.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: 2
This union binding pocket(no: 9) in the query (biounit: 5jph.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2WPB ZZI 4.86111
2 2PZE ATP 15.9722
Pocket No.: 10; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: 7
This union binding pocket(no: 10) in the query (biounit: 5jph.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2CBZ ATP 2.08333
2 5TSH ADP 4.16667
3 5XFV FMN 4.86111
4 2W58 ADP 5.55556
5 1G6H ADP 5.55556
6 3FPF TNA 9.02778
7 3FPF MTA 9.02778
Pocket No.: 11; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 5jph.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5JPH; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5jph.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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