-->
Receptor
PDB id Resolution Class Description Source Keywords
4R57 2.08 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF SPERMIDINE N-ACETYLTRANSFERASE FROM VIB CHOLERAE IN COMPLEX WITH ACETYL-COA VIBRIO CHOLERAE O1 BIOVAR EL TOR STRUCTURAL GENOMICS NIAID NATIONAL INSTITUTE OF ALLERGY ANINFECTIOUS DISEASES CENTER FOR STRUCTURAL GENOMICS OF INFEDISEASES CSGID ACETYL COENZYME A SPERMIDINE TRANSFERASE
Ref.: A NOVEL POLYAMINE ALLOSTERIC SITE OF SPEG FROM VIBR CHOLERAE IS REVEALED BY ITS DODECAMERIC STRUCTURE. J.MOL.BIOL. V. 427 1316 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG H:202;
C:202;
G:202;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
ACO E:201;
D:201;
L:201;
G:201;
A:201;
J:201;
I:201;
B:201;
F:201;
C:201;
H:201;
K:201;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 610 uM
809.571 C23 H38 N7 O17 P3 S CC(=O...
PG4 B:202;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R57 2.08 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF SPERMIDINE N-ACETYLTRANSFERASE FROM VIB CHOLERAE IN COMPLEX WITH ACETYL-COA VIBRIO CHOLERAE O1 BIOVAR EL TOR STRUCTURAL GENOMICS NIAID NATIONAL INSTITUTE OF ALLERGY ANINFECTIOUS DISEASES CENTER FOR STRUCTURAL GENOMICS OF INFEDISEASES CSGID ACETYL COENZYME A SPERMIDINE TRANSFERASE
Ref.: A NOVEL POLYAMINE ALLOSTERIC SITE OF SPEG FROM VIBR CHOLERAE IS REVEALED BY ITS DODECAMERIC STRUCTURE. J.MOL.BIOL. V. 427 1316 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4R57 Kd = 610 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 3WR7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 4R57 Kd = 610 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 3WR7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 4R57 Kd = 610 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 CAO 0.898305 0.934066
4 COS 0.898305 0.944444
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 CO6 0.885246 0.988636
9 1VU 0.885246 0.977528
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 MLC 0.870968 0.966292
13 BCO 0.870968 0.966292
14 1HE 0.870968 0.966667
15 3HC 0.870968 0.977273
16 IVC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 MCA 0.864 0.977528
19 COO 0.864 0.966292
20 COK 0.861789 0.944444
21 COA 0.857143 0.965909
22 SCA 0.857143 0.966292
23 0T1 0.857143 0.94382
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 BYC 0.850394 0.966292
29 COW 0.850394 0.955556
30 IRC 0.850394 0.977273
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 2NE 0.824427 0.945055
44 1CZ 0.824427 0.955556
45 CO8 0.824427 0.988764
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 COF 0.821705 0.923913
49 3CP 0.821705 0.944444
50 2KQ 0.821705 0.988764
51 MYA 0.818182 0.988764
52 ST9 0.818182 0.988764
53 UCC 0.818182 0.988764
54 DCC 0.818182 0.988764
55 MFK 0.818182 0.988764
56 5F9 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 7L1 0.814516 1
60 WCA 0.80597 0.945055
61 CS8 0.80597 0.977778
62 SCD 0.804688 0.94382
63 MCD 0.80315 0.966292
64 CA6 0.80315 0.896907
65 HDC 0.8 0.988764
66 4KX 0.8 0.934783
67 CIC 0.796992 0.944444
68 NMX 0.796875 0.875
69 MRR 0.794118 0.988764
70 MRS 0.794118 0.988764
71 4CO 0.791045 0.934066
72 0FQ 0.791045 0.944444
73 CAJ 0.790698 0.944444
74 YNC 0.788321 0.955556
75 DAK 0.788321 0.934783
76 0ET 0.785185 0.966667
77 01A 0.785185 0.904255
78 8Z2 0.782609 0.977778
79 HFQ 0.781022 0.923913
80 1CV 0.779412 0.966292
81 YE1 0.778626 0.933333
82 NHM 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 NHW 0.773723 0.966667
85 CA8 0.766917 0.877551
86 F8G 0.762238 0.946237
87 1HA 0.760563 0.945055
88 NHQ 0.746479 0.955056
89 S0N 0.744526 0.923077
90 CCQ 0.744526 0.945652
91 01K 0.743056 0.966292
92 COT 0.737931 0.944444
93 CA3 0.727891 0.944444
94 UCA 0.721854 0.988764
95 CO7 0.713235 0.966292
96 CA5 0.703947 0.904255
97 93P 0.699346 0.934066
98 COD 0.692913 0.954545
99 93M 0.666667 0.934066
100 4BN 0.656627 0.946237
101 5TW 0.656627 0.946237
102 OXT 0.634731 0.946237
103 HMG 0.62585 0.933333
104 PLM COA 0.61745 0.955556
105 COA PLM 0.61745 0.955556
106 JBT 0.609195 0.926316
107 BSJ 0.594118 0.913979
108 PAP 0.577586 0.784091
109 ASP ASP ASP ILE CMC NH2 0.557576 0.902174
110 PPS 0.53719 0.729167
111 191 0.532895 0.877551
112 RFC 0.53125 0.966667
113 SFC 0.53125 0.966667
114 A3P 0.525862 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
116 0WD 0.503497 0.763441
117 PTJ 0.462687 0.842697
118 3AM 0.461538 0.761364
119 3OD 0.451852 0.797753
120 A22 0.450382 0.786517
121 PUA 0.447368 0.793478
122 A2D 0.446281 0.775281
123 PAJ 0.443609 0.853933
124 SAP 0.440945 0.8
125 ATR 0.440945 0.772727
126 AGS 0.440945 0.8
127 OAD 0.437037 0.797753
128 ADP 0.435484 0.795455
129 A2R 0.431818 0.786517
130 BA3 0.427419 0.775281
131 NA7 0.426471 0.829545
132 9X8 0.426471 0.8
133 HEJ 0.425197 0.795455
134 ATP 0.425197 0.795455
135 B4P 0.424 0.775281
136 AP5 0.424 0.775281
137 ADQ 0.422222 0.777778
138 AQP 0.421875 0.795455
139 AR6 0.421875 0.775281
140 5FA 0.421875 0.795455
141 2A5 0.421875 0.818182
142 APR 0.421875 0.775281
143 48N 0.42069 0.802198
144 AN2 0.420635 0.786517
145 FYA 0.42029 0.786517
146 M33 0.417323 0.786517
147 SRP 0.413534 0.808989
148 ANP 0.412214 0.777778
149 YLB 0.412162 0.877778
150 FA5 0.411348 0.788889
151 YLP 0.410959 0.877778
152 ME8 0.410072 0.835165
153 AT4 0.409449 0.808989
154 APU 0.409396 0.76087
155 5AL 0.409091 0.786517
156 7D3 0.408 0.766667
157 F2R 0.407895 0.836957
158 NJP 0.407895 0.78022
159 AD9 0.407692 0.777778
160 25L 0.407143 0.786517
161 7D4 0.40625 0.766667
162 CA0 0.40625 0.777778
163 ATF 0.406015 0.769231
164 A A A 0.405797 0.786517
165 A2P 0.404762 0.761364
166 9ZA 0.404412 0.791209
167 8QN 0.404412 0.786517
168 9ZD 0.404412 0.791209
169 LAQ 0.40411 0.815217
170 NDP 0.403974 0.763441
171 ACP 0.403101 0.797753
172 ACQ 0.401515 0.797753
173 YAP 0.401408 0.78022
174 ATP A A A 0.401408 0.744444
175 TXA 0.4 0.788889
176 NB8 0.4 0.782609
177 PAX 0.4 0.768421
178 1ZZ 0.4 0.855556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 203
This union binding pocket(no: 1) in the query (biounit: 4r57.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5OFW 9TW None
2 5N53 8NB None
3 2WBV SIA None
4 2BVE PH5 None
5 5DTF 5CT None
6 3SBZ MLI None
7 6A46 DCM None
8 4U9W COA 1.13636
9 2IMG MLT 1.3245
10 5K21 6QF 1.41844
11 2DPY ADP 1.70455
12 2JEV NHQ 1.72414
13 2B4D COA 1.75439
14 2B4B COA 1.75439
15 2PZE ATP 2.27273
16 4OEV OXL 2.27273
17 1RJW ETF 2.27273
18 3ZVS MLI 2.5
19 6BA2 7KM 2.84091
20 4B5P ACO 2.84091
21 3SXN COA 2.84091
22 4H6U ACO 2.84091
23 4PPF FLC 2.84091
24 2XT3 ADP 2.84091
25 1YRE COA 2.84091
26 2VT3 ATP 2.84091
27 3A76 SPD 2.84091
28 3DC4 ADP 2.84091
29 3E70 GDP 2.84091
30 5NM7 GLY 2.84091
31 5XXS COA 3.0303
32 3IUY AMP 3.40909
33 1F9V ADP 3.40909
34 3TK1 GDP 3.40909
35 1KZL CRM 3.40909
36 1WLJ U5P 3.40909
37 4ZQX ATP 3.40909
38 2WHX ADP 3.40909
39 3UEC ALA ARG TPO LYS 3.42466
40 1JI0 ATP 3.97727
41 3R6K FUC GAL GLA 3.97727
42 4C2C ALA ALA ALA 3.97727
43 1GOJ ADP 3.97727
44 2VVG ADP 3.97727
45 3BIY 01K 3.97727
46 3W5J GDP 3.97727
47 1MJT ITU 3.97727
48 5MU6 MYA 4.54545
49 5MU6 KFK 4.54545
50 5TVJ COA 4.54545
51 5TVJ 7LF 4.54545
52 3NHB ADP 4.54545
53 3G6N MET ALA SER 4.54545
54 1IID NHM 4.54545
55 2IYL GDP 4.54545
56 2NCD ADP 4.54545
57 6AYU MLI 4.54545
58 4KFU ACP 4.54545
59 5V59 8X1 4.54545
60 3LN9 FLC 5.03597
61 3TO7 COA 5.11364
62 5K04 COA 5.11364
63 5YV5 ADP 5.11364
64 1YQT ADP 5.11364
65 5H4S RAM 5.11364
66 4MAF ADX 5.11364
67 2PS1 ORO 5.11364
68 5O74 GDP 5.11364
69 2CDN ADP 5.11364
70 4CVN ADP 5.11364
71 6BYF CIT 5.29412
72 3QDX CBS 5.59441
73 3QDV NDG 5.59441
74 2OFE NAG 5.6338
75 1KUV CA5 5.68182
76 5GVR LMR 5.68182
77 3D2M COA 5.68182
78 2AWN ADP 5.68182
79 2WPX ACO 5.68182
80 2WPW ACO 5.68182
81 1B0U ATP 5.68182
82 3OTH CLJ 5.68182
83 1T5C ADP 5.68182
84 6CI9 F3V 5.68182
85 2A19 ANP 5.71429
86 5YGE ACO 5.74713
87 5YGE GLU 5.74713
88 5LS7 ACO 5.88235
89 1QSM ACO 5.92105
90 5JPH COA 6.25
91 1IYK MYA 6.25
92 1G6H ADP 6.25
93 2ZFN ACO 6.25
94 4P86 5GP 6.25
95 3CZ7 ACO 6.25
96 4Z2S NDG 6.33803
97 4Z2S NAG 6.33803
98 2OG2 MLI 6.81818
99 3B9Q MLI 6.81818
100 4U00 ADP 6.81818
101 2CBZ ATP 6.81818
102 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 6.81818
103 6A20 ADP 6.81818
104 5LY2 OGA 6.81818
105 5FWE OGA 6.81818
106 2A5F NAD 6.85714
107 4CRZ ACO 6.99301
108 1Y2W NAG 7.04225
109 5F90 GLA GAL BGC 5VQ 7.05128
110 4UWJ MYA 7.38636
111 4UWJ 7L5 7.38636
112 1RRC ADP 7.38636
113 5KR7 6X9 7.38636
114 1XVB BHL 7.38636
115 4AG5 ADP 7.38636
116 5GWE GWM 7.38636
117 5W8E ADE 7.95455
118 5W8E SXZ 7.95455
119 1R0X ATP 7.95455
120 3HQP FDP 7.95455
121 4P83 U5P 7.95455
122 2W58 ADP 8.52273
123 4R2I ANP 8.52273
124 5DK4 5BX 8.52273
125 5DK4 ATP 8.52273
126 5LKT BCO 8.52273
127 1MFI FHC 8.77193
128 1BOB ACO 9.09091
129 4C2X NHW 9.09091
130 4PSW COA 9.09091
131 4YMU ATP 9.09091
132 4RFM 3P6 9.09091
133 4QM7 GTP 9.35672
134 2QQC AG2 9.43396
135 3HRD NIO 9.65909
136 3LRE ADP 9.65909
137 1R6T TYM 9.65909
138 2VBQ BSJ 9.69697
139 1N13 AG2 9.73451
140 1GXU 2HP 9.89011
141 2YNE YNE 10.2273
142 2YNE NHW 10.2273
143 5VKM GAL SIA 10.2273
144 2YNC YNC 10.2273
145 5A04 BGC 10.2273
146 1LVG ADP 10.2273
147 5ZXD ATP 10.2273
148 5CK5 GDP 10.7955
149 4KVX ACO 10.8974
150 2WSA 646 11.3636
151 2WSA MYA 11.3636
152 1M4I PAP 11.3636
153 1M4I COA 11.3636
154 1M4I KAN 11.3636
155 5TSH ADP 11.3636
156 5TSH ANP 11.3636
157 3EC1 GDP 11.3636
158 1JJ7 ADP 11.9318
159 3TE4 ACO 12.5
160 2D2F ADP 12.5
161 4NSQ COA 12.5
162 5H86 BCO 13.0952
163 1CM0 COA 13.0952
164 4FRZ ADP 13.6364
165 2Q4V ACO 14.1176
166 1N71 COA 14.2045
167 5OF1 SAL 14.2045
168 2KIN ADP 14.2045
169 2ZPA ACO 14.7727
170 3WCZ CIT 14.7727
171 3RC3 ANP 15.3409
172 1GHE ACO 16.4773
173 4WZ6 ATP 16.4773
174 3B5J 12D 16.4773
175 2CNT COA 16.875
176 5HGZ ACO 17.0455
177 5HH0 COA 17.0455
178 1QSR ACO 17.284
179 1QSN COA 17.284
180 1Q2D COA 17.284
181 1Q2C COA 17.284
182 2VZZ SCA 18.1818
183 3ZIA ADP 19.0476
184 3A4M ADP 19.3182
185 4QC6 30N 19.8864
186 2IOY RIP 19.8864
187 5GK9 ACO 20
188 2IL4 COA 20.3883
189 1OXV ANP 22.1591
190 4UA3 COA 22.1649
191 3R96 AMP 22.7273
192 3R96 ACO 22.7273
193 4RI1 ACO 26.1364
194 1WWZ ACO 29.5597
195 5KTC COA 30.6818
196 5KTC FUH 30.6818
197 6EDV COA 31.25
198 1S7N COA 36.9318
199 4AG9 COA 38.1818
200 1V0C ACO 39.2045
201 1V0C KNC 39.2045
202 1I1D COA 42.236
203 1I1D 16G 42.236
Pocket No.: 2; Query (leader) PDB : 4R57; Ligand: ACO; 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: 4r57.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4R57; Ligand: ACO; 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: 4r57.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 97
This union binding pocket(no: 4) in the query (biounit: 4r57.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 3I7V B4P None
3 3F81 STT None
4 1JGS SAL None
5 1NU4 MLA None
6 4IAW LIZ None
7 2V2G BEZ None
8 4NB5 2JT None
9 5CHR 4NC None
10 3O94 NCA 1.13636
11 4M0R 644 1.13636
12 4URN NOV 1.70455
13 1X8X TYR 1.70455
14 4RW3 TDA 2.27273
15 2GN2 C5P 2.27273
16 2AZ5 307 2.7027
17 1Q11 TYE 2.84091
18 1QH9 LAC 2.84091
19 5LV1 78T 2.84091
20 1NF8 BOG 2.84091
21 3W6G FLC 2.84091
22 5YSQ INS 2.84091
23 6FS0 E4W 3.14465
24 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.40909
25 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.40909
26 2GWH PCI 3.40909
27 2Z3U CRR 3.40909
28 3B6O TMP 3.40909
29 5UC4 83S 3.40909
30 6MDE MEV 3.97727
31 3KYF 5GP 5GP 3.97727
32 4C2G ALA ALA ALA ALA 3.97727
33 2H7C COA 3.97727
34 3W54 RNB 3.97727
35 4WOH 4NP 4.21687
36 5CQG 55C 4.54545
37 4V3I ASP LEU THR ARG PRO 4.54545
38 5KBF CMP 4.54545
39 4A91 GLU 4.54545
40 3KC1 2T6 4.54545
41 3B6C SDN 4.54545
42 3ITA AIC 4.54545
43 2WOR 2AN 5
44 4A7W GTP 5.11364
45 1VHZ APR 5.11364
46 5M8T 0TR 5.11364
47 3DRW AMP 5.11364
48 3QDW NDG 5.59441
49 3QDY CBS 5.59441
50 3QDU CBS CBS 5.59441
51 2OFD NGA 5.6338
52 5W7B MYR 5.68182
53 5XJ7 87O 5.68182
54 6BR8 6OU 5.68182
55 3W68 4PT 5.68182
56 5X3R 7Y3 5.68182
57 4FGC PQ0 6.06061
58 5OSW DIU 6.25
59 1Y42 TYR 6.25
60 5OSW AE4 6.25
61 3FIU POP 6.25
62 5XQL C2E 6.81818
63 1YKD CMP 6.81818
64 3SP6 IL2 6.81818
65 3HQ9 OXL 6.81818
66 4LS3 HIS 6.81818
67 3QX9 ATP 7.24638
68 1GEG GLC 7.38636
69 1XVB BHL BHL 7.38636
70 2X1L MET 7.95455
71 2D5X L35 8.21918
72 4TS1 TYR 9.09091
73 3UWB BB2 9.09091
74 2HFN FMN 9.15033
75 3DGY 2GP 9.27835
76 6CS8 F9Y 9.65909
77 3EYK EYK 9.88372
78 2ZX2 RAM 10.7955
79 4OGQ 7PH 11.1732
80 2HHP FLC 11.3636
81 3TDC 0EU 11.3636
82 4YUS FMN 11.9318
83 5LX9 OLB 13.0682
84 1RGE 2GP 13.5417
85 1TV5 N8E 13.6364
86 3H4S ADP 13.6364
87 3KO0 TFP 13.8614
88 2BHW NEX 15.9091
89 2Y69 CHD 16.2162
90 5W97 CHD 16.4384
91 5Z84 CHD 16.4384
92 5ZCO CHD 16.4384
93 4V1F BQ1 17.4419
94 6GSG RCO 18.75
95 1DTL BEP 19.2547
96 3PMA SCR 20.6897
97 4R3L COA 21.0227
Pocket No.: 5; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4r57.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4r57.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 31
This union binding pocket(no: 7) in the query (biounit: 4r57.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5XG5 A2G 1.37931
2 1XP8 AGS 1.70455
3 2BCG GER 2.84091
4 5DCH 1YO 2.84091
5 2CJW GDP 2.84091
6 1XQP 8HG 3.40909
7 4DE2 DN3 3.40909
8 1RL4 BRR 3.40909
9 3GXO MQA 3.40909
10 5EE7 5MV 3.97727
11 5WKR NAR 3.97727
12 2GAG FOA 4.54545
13 1JJV ATP 4.54545
14 3BPX SAL 4.72973
15 6DIO CIT 5.11364
16 1TSD F89 5.68182
17 1SYN F89 5.68182
18 1TLC F89 5.68182
19 2J83 BAT 6.25
20 4PX9 ADP 6.25
21 4OHU 2TK 6.25
22 4EOY ASN ASP TRP LEU LEU PRO SER TYR 6.25
23 4OHU NAD 6.25
24 3KDU NKS 6.81818
25 3COB ADP 8.52273
26 3QPB R1P 9.09091
27 5URY PAM 10.9589
28 2Y65 ADP 11.9318
29 6FAA ADP 16.4773
30 2GOO NDG 16.6667
31 1BG2 ADP 17.6136
Pocket No.: 8; Query (leader) PDB : 4R57; Ligand: ACO; 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: 4r57.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4r57.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 34
This union binding pocket(no: 10) in the query (biounit: 4r57.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 1MAI I3P None
3 5MT9 SRO None
4 1MID LAP None
5 4XU6 TDA None
6 5KBE IPH 1.13636
7 5UGW GSH 1.71429
8 2C3H GLC GLC 2.04082
9 4MRP GSH 2.27273
10 5B4B LP5 2.27273
11 3GD8 GOL 2.84091
12 5VRH OLB 3.40909
13 4F9U PBD 3.40909
14 2YIV YIV 3.40909
15 4DE3 DN8 3.40909
16 2Z49 AMG 4.54545
17 5X8I SQZ 4.54545
18 3EWA ANP 5.11364
19 4D42 W0I 5.11364
20 4D42 NAP 5.11364
21 2GDJ ANP 5.68182
22 2Q8G AZX 6.25
23 4TV1 36M 6.81818
24 5F90 GLA GAL 7.05128
25 2IS6 ADP 8.52273
26 5VCM UDP 8.52273
27 5LB3 ADP 9.09091
28 3H41 ALA DGL 10.2273
29 1M2Z BOG 10.7955
30 1HBK MYR 13.4831
31 5E9G GLV 13.6364
32 3RMK BML 14.2045
33 2ZPA ADP 14.7727
34 4AP9 1PS 27.8409
Pocket No.: 11; Query (leader) PDB : 4R57; Ligand: ACO; 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: 4r57.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4R57; Ligand: ACO; 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: 4r57.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 37
This union binding pocket(no: 13) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4RHS SIA SIA GAL None
2 1G8S MET 1.70455
3 4ZVV GN0 1.70455
4 4ZVV NAD 1.70455
5 3ZUY TCH 2.27273
6 4RW3 PLM 2.27273
7 6F9G PUT 2.84091
8 1RL4 BL5 3.40909
9 1D8C GLV 3.40909
10 3G5K BB2 3.40909
11 1XMY ROL 3.40909
12 3SJK LYS PRO VAL LEU ARG THR ALA 3.40909
13 4JLS 3ZE 3.94737
14 3E7S AT2 3.97727
15 6F1J EDG 3.97727
16 5V49 MET 3.97727
17 1U72 MTX 4.54545
18 1U72 NDP 4.54545
19 1YRO UDP 4.54545
20 2GCG DGY 4.54545
21 1AOE GW3 5.11364
22 1AOE NDP 5.11364
23 4LAE NAP 5.11364
24 4LAE 1VM 5.11364
25 3O5N BR0 5.35714
26 1T26 NAI 6.25
27 1T26 GBD 6.25
28 6CWH 6LA 6.59341
29 2OKL BB2 8.52273
30 4J75 TYM 10.2273
31 4RUS NDG 10.7955
32 5U83 ZN8 11.3636
33 1HBK COA 13.4831
34 5U32 GDP 15.3409
35 3M89 GSP 15.9091
36 3T31 DCQ 26.7045
37 3T31 FAD 26.7045
Pocket No.: 14; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 8
This union binding pocket(no: 16) in the query (biounit: 4r57.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 5HP8 PYR None
3 2W9S TOP 3.72671
4 4GAH 0ET 6.25
5 3ZZH NLG 8.52273
6 5XDR ADP 10.2273
7 4IEE AGS 13.0682
8 1I7M PUT 25.5682
Pocket No.: 17; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 4r57.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 4r57.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 10
This union binding pocket(no: 19) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3GJB AKG 2.27273
2 1Q9I TEO 2.84091
3 1Q9I FAD 2.84091
4 4DS0 A2G GAL NAG FUC 3.68098
5 4Z7X 3CX 4.54545
6 5A96 GTP 4.54545
7 5X80 SAL 5
8 2BMB PMM 6.81818
9 2XIG CIT 13.3333
10 4LO6 SIA GAL 18.75
Pocket No.: 20; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 14
This union binding pocket(no: 22) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3BER AMP None
2 1UO4 PIH None
3 4ZDJ UTP 3.97727
4 6CB2 OLC 5.11364
5 5HWK BEZ 5.11364
6 5N26 CPT 6.81818
7 3WUR O4B 7.01754
8 4UTG ANP 7.38636
9 4LC1 GDP 7.95455
10 4FAI PBD 7.95455
11 4BUY F37 7.95455
12 2F7A BEZ 8.52273
13 2Z7I 742 12.5
14 1CT9 GLN 21.0227
Pocket No.: 23; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 4r57.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 12
This union binding pocket(no: 25) in the query (biounit: 4r57.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZX ACE VAL LYS GLU SER LEU VAL None
2 1L6O SER LEU LYS LEU MET THR THR VAL None
3 2R5V HHH 2.84091
4 5ZQS XYP 3.40909
5 1G51 AMP 3.96552
6 2OBM ADP 3.97727
7 4ARE FLC 3.97727
8 6BR8 PGV 5.68182
9 6AIC AMP 6.81818
10 3G58 988 13.6364
11 2UYN 2KT 13.9535
12 4ZGM 32M 25.8065
Pocket No.: 26; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 26) in the query (biounit: 4r57.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 27; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 27) in the query (biounit: 4r57.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 48
This union binding pocket(no: 28) in the query (biounit: 4r57.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3N7S 3N7 None
2 4I67 G G G RPC None
3 4NTO 1PW None
4 6CS9 PIO None
5 6GD6 EVB None
6 3TL1 JRO 1.88679
7 1WMA AB3 2.27273
8 2NUN ADP 2.27273
9 5V4R MGT 2.46914
10 5EY0 GTP 2.84091
11 2ZR9 DTP 2.84091
12 3X1M COA 3.14465
13 1Q8Q MAN MMA 3.40909
14 1Q8S MAN MMA 3.40909
15 2JBH 5GP 3.40909
16 3W9F I3P 3.97727
17 1V6A TRE 3.97727
18 3NB0 G6P 3.97727
19 4IA6 EIC 3.97727
20 2GH9 MLR 3.97727
21 2ZFI ADP 4.54545
22 1DTD GLU 4.54545
23 5OCQ CIT 5.11364
24 3O01 DXC 5.11364
25 5M37 9SZ 5.11364
26 6C0B PAM 5.68182
27 6AP6 TLF 5.68182
28 5WL1 D3D 6.06061
29 5WL1 CUY 6.06061
30 4G86 BNT 6.25
31 1T36 ORN 6.25
32 5CGE 51F 6.25
33 5O22 C3R 6.81818
34 3I6B KDO 6.81818
35 5KOR GDP 7.38636
36 5GLN XYP XYP XYP 7.95455
37 4RP9 ASC 8.52273
38 2VDY HCY 9.09091
39 1PFK ADP 9.09091
40 5LXT GDP 9.79021
41 5LXT 7AK 9.79021
42 4X8D AVI 10.2273
43 1J6W MET 10.2857
44 5XJD 87L 10.7955
45 2VWA PTY 10.8911
46 1ZED PNP 11.9318
47 2O1V ADP 11.9318
48 6BMS POV 13.6364
Pocket No.: 29; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 29) in the query (biounit: 4r57.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 30; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 30) in the query (biounit: 4r57.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 31; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 22
This union binding pocket(no: 31) in the query (biounit: 4r57.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5TDC NMM ILE PHE SER None
2 4EKQ NPO None
3 3ITJ CIT 1.70455
4 6EGU 43Y 2.27273
5 1R6N 434 3.40909
6 4DDY DN6 3.40909
7 5XK9 GST 3.40909
8 5EW0 3C7 3.40909
9 5JIB OIA 5.11364
10 3KP6 SAL 5.96026
11 3VYK MMA MAN NAG MAN NAG NAG 6.20155
12 1U0J ADP 7.38636
13 3ZLR X0B 7.59494
14 3T5M AMP 9.65909
15 3CEV ARG 9.65909
16 4WOE 3S5 10.2273
17 5NGL NOJ BGC 10.7955
18 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 11.7647
19 3ZOK GLY 14.2045
20 4F4S EFO 17.1053
21 5G48 1FL 18.1818
22 2JC9 ADN 23.8636
Pocket No.: 32; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 32) in the query (biounit: 4r57.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 33; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 33) in the query (biounit: 4r57.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 34; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: 12
This union binding pocket(no: 34) in the query (biounit: 4r57.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZFZ ARG None
2 2WCV FUC 3.57143
3 2YFB SIN 5.11364
4 1HSR BHO 6.25
5 1INN MET 7.22892
6 1VJE MSE 7.22892
7 4F06 PHB 7.38636
8 5HR5 FLC 11.3636
9 5OQW A4E 11.811
10 4NRT 2NG 14.2045
11 5VKI THR NGA GAL NAG 18.75
12 5M36 9SZ 21.0526
Pocket No.: 35; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 35) in the query (biounit: 4r57.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 36; Query (leader) PDB : 4R57; Ligand: ACO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 36) in the query (biounit: 4r57.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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