Receptor
PDB id Resolution Class Description Source Keywords
4B5P 1.6 Å EC: 2.3.1.108 CRYSTAL STRUCTURE OF HUMAN ALPHA TUBULIN ACETYLTRANSFERASE CATALYTIC DOMAIN Q58A VARIANT HOMO SAPIENS TRANSFERASE LYSINE ACETYLTRANSFERASE ACETYL COA TUBULIN MICROTUBULES CILIUM INTRAFLAGELLAR TRANSPORT
Ref.: ATOMIC RESOLUTION STRUCTURE OF HUMAN ALPHA-TUBULIN ACETYLTRANSFERASE BOUND TO ACETYL-COA. PROC.NATL.ACAD.SCI.USA V. 109 19649 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1197;
B:1197;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
NA A:401;
B:401;
Invalid;
Invalid;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B5P 1.6 Å EC: 2.3.1.108 CRYSTAL STRUCTURE OF HUMAN ALPHA TUBULIN ACETYLTRANSFERASE CATALYTIC DOMAIN Q58A VARIANT HOMO SAPIENS TRANSFERASE LYSINE ACETYLTRANSFERASE ACETYL COA TUBULIN MICROTUBULES CILIUM INTRAFLAGELLAR TRANSPORT
Ref.: ATOMIC RESOLUTION STRUCTURE OF HUMAN ALPHA-TUBULIN ACETYLTRANSFERASE BOUND TO ACETYL-COA. PROC.NATL.ACAD.SCI.USA V. 109 19649 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4B5P - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4B5P - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4B5P - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
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 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
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 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B5P; Ligand: ACO; Similar sites found: 177
This union binding pocket(no: 1) in the query (biounit: 4b5p.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IL4 COA 0.00000903 0.5532 None
2 2D2F ADP 0.0004551 0.51315 None
3 1H0A I3P 0.006734 0.44683 None
4 2WOR 2AN 0.007836 0.44049 None
5 2NCD ADP 0.02383 0.4147 None
6 2HYR BGC GLC 0.03778 0.4043 None
7 1LVG ADP 0.03368 0.40427 None
8 2O66 FLC 0.03661 0.40298 None
9 1I1D COA 0.000001429 0.55146 1.24224
10 1I1D 16G 0.00001012 0.47803 1.24224
11 1XX6 ADP 0.04025 0.4024 1.57068
12 1UCD U5P 0.02971 0.40945 1.57895
13 1N71 COA 0.000003299 0.55374 1.66667
14 2FT0 ACO 0.001384 0.45156 2
15 2PZE ATP 0.005798 0.44988 2
16 4WZ6 ATP 0.009588 0.43575 2
17 1R0X ATP 0.0132 0.42582 2
18 3EC1 GDP 0.01193 0.42358 2
19 4A7W GTP 0.0223 0.42334 2
20 3BPX SAL 0.01684 0.42218 2.02703
21 1J6W MET 0.02216 0.41174 2.28571
22 4KOT CE3 0.000007745 0.44922 2.46914
23 2CNT COA 0.00000001631 0.63148 2.5
24 2ZW5 COA 0.00004682 0.49362 2.5
25 2YNE NHW 0.0003013 0.49323 2.5
26 2YNE YNE 0.0003013 0.49323 2.5
27 2YNC YNC 0.00005634 0.48622 2.5
28 5JPH COA 0.000009085 0.47172 2.77778
29 4KFU ACP 0.008224 0.44005 2.83019
30 4R2I ANP 0.002841 0.46091 2.85714
31 2VWA PTY 0.03418 0.40854 2.9703
32 4AVB ACO 0.000005911 0.52095 3
33 3D2M COA 0.00003209 0.46968 3
34 1G6H ADP 0.004599 0.45504 3
35 5E5U MLI 0.01805 0.42638 3
36 1KSK URA 0.01436 0.42083 3
37 1SKQ GDP 0.0261 0.40605 3
38 4U9W COA 0.0000000876 0.59492 3.5
39 5HGZ ACO 0.00000005726 0.57822 3.5
40 2HHP FLC 0.0006803 0.4925 3.5
41 1NF8 BOG 0.00324 0.46728 3.5
42 2ZFN ACO 0.0002502 0.45516 3.5
43 3HP9 CF1 0.01431 0.43176 3.5
44 1XP8 AGS 0.008514 0.4311 3.5
45 3CZ7 ACO 0.002048 0.41517 3.5
46 3TBK ANP 0.03114 0.40608 3.5
47 1XMV ADP 0.02199 0.40227 3.5
48 2VEZ G6P 0.000003895 0.49793 3.68421
49 2VEZ ACO 0.000007515 0.49371 3.68421
50 4RI1 ACO 0.00008486 0.44109 3.76344
51 1GHE ACO 0.00000008111 0.56564 3.9548
52 4URN NOV 0.0005621 0.49782 4
53 4PPF FLC 0.001764 0.48039 4
54 3PMA SCR 0.001487 0.47211 4
55 2CBZ ATP 0.002065 0.47168 4
56 1TV5 N8E 0.002049 0.46835 4
57 2X7I CIT 0.01345 0.41669 4
58 3W68 4PT 0.02906 0.40765 4
59 3BIY 01K 0.00161 0.40644 4
60 3FAL REA 0.01815 0.40278 4
61 4QM7 GTP 0.006126 0.4338 4.09357
62 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01185 0.43497 4.5
63 4YMU ATP 0.01253 0.42248 4.5
64 2XT3 ADP 0.01818 0.42135 4.5
65 3DC4 ADP 0.03003 0.40692 4.5
66 4B47 GDP 0.0286 0.40399 4.5
67 4J0Q GDP 0.03028 0.40271 4.5
68 1I4D GDP 0.03068 0.40241 4.5
69 3BOS CDP 0.02742 0.40113 4.5
70 1BO4 COA 0.00001519 0.5637 4.7619
71 2JDC CAO 0.000008123 0.49927 4.79452
72 5FVJ ACO 0.0000003753 0.55801 4.81928
73 5KAX RHQ 0.03393 0.40409 4.81928
74 3F8K COA 0.00003877 0.4924 5
75 1KUV CA5 0.000003664 0.49145 5
76 2W58 ADP 0.01225 0.43377 5
77 4OKD GLC GLC GLC 0.01431 0.43095 5
78 2ZR9 DTP 0.01197 0.41923 5
79 4Q3F TLA 0.03465 0.40604 5.12821
80 4R3L COA 0.002118 0.42593 5.20231
81 2ACO VCA 0.03502 0.40336 5.20231
82 4UAP NGA 0.005503 0.4351 5.26316
83 2VBQ BSJ 0.000001448 0.48691 5.45455
84 1JJ7 ADP 0.003312 0.46345 5.5
85 1YQT ADP 0.002876 0.46341 5.5
86 3DBX PLM 0.005695 0.43099 5.5
87 2VVG ADP 0.01228 0.42938 5.5
88 3P13 RIP 0.03772 0.40159 5.55556
89 4KVX ACO 0.0000001726 0.57698 5.76923
90 5H86 BCO 0.0000006818 0.55011 5.95238
91 2ZPA ACO 0.00000003624 0.56862 6
92 3SXN COA 0.000005371 0.53868 6
93 3TDC 0EU 0.004809 0.47383 6
94 2FAH MLA 0.01438 0.42386 6
95 3WIR BGC 0.02807 0.40988 6
96 1CJW COT 0.000009711 0.50488 6.0241
97 1S7N COA 0.00001467 0.52545 6.04396
98 1RE0 GDP 0.03131 0.40195 6.09756
99 1NU4 MLA 0.0134 0.41928 6.18557
100 3R96 ACO 0.0001644 0.46876 6.38298
101 3R96 AMP 0.0001644 0.41245 6.38298
102 1BOB ACO 0.0000000002339 0.70743 6.5
103 3RC3 ANP 0.007975 0.43256 6.5
104 1U0J ADP 0.01682 0.41591 6.5
105 3B5J 12D 0.03671 0.40227 6.5
106 1GXU 2HP 0.0005167 0.47939 6.59341
107 3ZJ0 ACO 0.000001158 0.52823 6.79612
108 1YC4 43P 0.01306 0.41338 6.81818
109 4PSW COA 0.0000002592 0.62492 7
110 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01451 0.43508 7
111 3W5J GDP 0.01361 0.42998 7
112 1G8S MET 0.0218 0.41518 7
113 2PHF MAN MAN 0.0297 0.40717 7.14286
114 1M4I COA 0.001236 0.43317 7.18232
115 1M4I PAP 0.001236 0.43317 7.18232
116 1PUA COA 0.000003388 0.55951 7.36196
117 1QSN COA 0.000003986 0.55637 7.40741
118 1QSR ACO 0.0000009426 0.55319 7.40741
119 1Q2D COA 0.00001045 0.54383 7.40741
120 1Q2C COA 0.00008103 0.48362 7.40741
121 3PA8 621 0.01197 0.42807 7.5
122 4C2Z MYA 0.00008827 0.41214 7.5
123 2R42 FPS 0.007092 0.40815 7.5
124 3B6C SDN 0.0387 0.40104 7.5
125 1YRE COA 0.0005858 0.46423 7.61421
126 1QSM ACO 0.000001454 0.54022 7.89474
127 2WPX ACO 0.0000002364 0.61872 7.9646
128 2WPW ACO 0.0000009088 0.59958 7.9646
129 2AWN ADP 0.002501 0.4726 8
130 2AF6 FAD 0.001043 0.43443 8
131 3NHB ADP 0.01383 0.42794 8
132 1IYK MYA 0.0002614 0.42657 8
133 4C2X NHW 0.00006777 0.41156 8
134 3W54 RNB 0.01362 0.40876 8
135 2DQA NAG NAG NAG 0.0004944 0.48833 8.06452
136 4NFD SIA 0.02086 0.41201 8.33333
137 4QC6 30N 0.00001601 0.5132 8.37989
138 3TE4 ACO 0.000001005 0.56368 8.5
139 2Q4G CIT 0.00772 0.4381 8.52713
140 2B4B COA 0.000003489 0.55268 8.77193
141 2B4D COA 0.0000009716 0.50569 8.77193
142 4NSQ COA 0.00001262 0.54009 9
143 2VZZ SCA 0.00008311 0.45506 9
144 2OG2 MLI 0.002901 0.43149 9
145 3B9Q MLI 0.008725 0.42259 9
146 1JGS SAL 0.0001479 0.47636 9.42029
147 4UWJ MYA 0.001298 0.45447 9.5
148 4UWJ 7L5 0.001298 0.45447 9.5
149 1JI0 ATP 0.004329 0.4513 9.5
150 1T5C ADP 0.006589 0.44517 9.5
151 3TO7 COA 0.00000002194 0.61923 10
152 4RW3 TDA 0.004787 0.46417 10
153 4RW3 PLM 0.01284 0.43965 10
154 3LRE ADP 0.0115 0.43078 10
155 1S14 NOV 0.02073 0.41546 10.3093
156 2Z9I GLY ALA THR VAL 0.003579 0.45896 10.5
157 4ZNO SUC 0.03209 0.40985 10.5
158 1U25 IHS 0.03561 0.40731 10.5
159 1WWZ ACO 0.0000001124 0.5692 10.6918
160 1CM0 COA 0.000001315 0.59984 10.7143
161 4UA3 COA 0.000003279 0.49006 10.8247
162 1TIQ COA 0.0000000162 0.69064 11.1111
163 5LWY OLB 0.01749 0.40355 11.215
164 4XPL ACO 0.001791 0.44213 11.6564
165 5OCA 9QZ 0.003588 0.45898 11.6667
166 4V3I ASP LEU THR ARG PRO 0.01263 0.43248 12
167 5GK9 ACO 0.000000004388 0.63337 13
168 3EHH ADP 0.00877 0.43044 13
169 2WHX ADP 0.02604 0.41246 13
170 4AG5 ADP 0.02774 0.41126 13.5
171 2Y69 CHD 0.001432 0.48188 14.2012
172 5K04 COA 0.0000967 0.4804 15
173 1OXV ANP 0.0337 0.4003 15
174 2Q4V ACO 0.0000002841 0.56838 15.8824
175 4AG9 COA 0.00007815 0.52825 21.8182
176 3K9U ACO 0.0000003461 0.41921 22.6415
177 1F9V ADP 0.02627 0.41227 33
Pocket No.: 2; Query (leader) PDB : 4B5P; Ligand: ACO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4b5p.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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