Receptor
PDB id Resolution Class Description Source Keywords
2ZW5 2.4 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF BLEOMYCIN N-ACETYLTRANSFERASE COMPLEXED WITH COENZYME A IN THE TRIGONAL CRYSTAL STREPTOMYCES VERTICILLUS DIMER TWO DOMAINS TRANSFERASE
Ref.: CATALYTIC MECHANISM OF BLEOMYCIN N-ACETYLTRANSFERASE PROPOSED ON THE BASIS OF ITS CRYSTAL STRUCTURE. J.BIOL.CHEM. V. 285 1446 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:402;
B:401;
Valid;
Valid;
none;
none;
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767.534 C21 H36 N7 O16 P3 S CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZW5 2.4 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF BLEOMYCIN N-ACETYLTRANSFERASE COMPLEXED WITH COENZYME A IN THE TRIGONAL CRYSTAL STREPTOMYCES VERTICILLUS DIMER TWO DOMAINS TRANSFERASE
Ref.: CATALYTIC MECHANISM OF BLEOMYCIN N-ACETYLTRANSFERASE PROPOSED ON THE BASIS OF ITS CRYSTAL STRUCTURE. J.BIOL.CHEM. V. 285 1446 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 2ZW5 - 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 211 families.
1 2ZW5 - 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 166 families.
1 2ZW5 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
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 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
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 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZW5; Ligand: COA; Similar sites found: 144
This union binding pocket(no: 1) in the query (biounit: 2zw5.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3K60 ADP 0.02378 0.4066 None
2 2WSA 646 0.0006929 0.4903 0.996678
3 2WSA MYA 0.0006929 0.4903 0.996678
4 2VOH CIT 0.034 0.40469 1.27389
5 4YDS ATP 0.01928 0.41134 1.31579
6 1BOB ACO 0.000007964 0.50916 1.3289
7 1T5C ADP 0.01222 0.42636 1.3289
8 2OG2 MLI 0.00006573 0.53375 1.66113
9 1YQT ADP 0.004014 0.45052 1.66113
10 2Q4V ACO 0.000001808 0.51884 1.76471
11 2VBQ BSJ 0.00000843 0.44664 1.81818
12 1WWZ ACO 0.000001839 0.50548 1.88679
13 3B9Q MLI 0.0004583 0.50895 1.99336
14 3NHB ADP 0.004024 0.45 1.99336
15 1V8K ANP 0.005787 0.42878 1.99336
16 3MD0 GDP 0.01173 0.41797 1.99336
17 2YGM GLA NAG GAL FUC 0.01854 0.40792 1.99336
18 4UA3 COA 0.00005305 0.47288 2.06186
19 5JPH COA 0.0001208 0.45847 2.08333
20 2IYL GDP 0.02023 0.40202 2.11268
21 4QC6 30N 0.0000001197 0.59206 2.23464
22 4PPF FLC 0.0002904 0.53005 2.32558
23 2AWN ADP 0.0003771 0.51093 2.32558
24 2WPX ACO 0.00006659 0.45788 2.32558
25 2OBM ADP 0.007399 0.43686 2.32558
26 2DPY ADP 0.007872 0.43152 2.32558
27 2NCD ADP 0.01586 0.41855 2.32558
28 1IYK MYA 0.0001698 0.41551 2.32558
29 4LC1 GDP 0.01142 0.41426 2.32558
30 2ZR9 DTP 0.01313 0.41128 2.32558
31 2WHX ADP 0.02175 0.41005 2.32558
32 2W5T GP9 0.01859 0.40786 2.32558
33 4B5P ACO 0.00004682 0.49362 2.5
34 2CBZ ATP 0.0007631 0.49539 2.53165
35 3SXN COA 0.0004448 0.44932 2.65781
36 1IID NHM 0.001688 0.44381 2.65781
37 3DC4 ADP 0.0109 0.42421 2.65781
38 3TBK ANP 0.01212 0.42182 2.65781
39 3BIY 01K 0.003525 0.41005 2.65781
40 4MGA 27L 0.0238 0.40285 2.7451
41 5GK9 ACO 0.000006752 0.52894 2.89855
42 1JI0 ATP 0.003799 0.44786 2.91667
43 2B4B COA 0.000009612 0.52474 2.92398
44 2B4D COA 0.00001156 0.50041 2.92398
45 2YNE NHW 0.001058 0.48212 2.99003
46 2YNE YNE 0.001058 0.48212 2.99003
47 2YNC YNC 0.0002384 0.47614 2.99003
48 1Q2D COA 0.00006344 0.50018 3.08642
49 1QSN COA 0.000093 0.48755 3.08642
50 1QSR ACO 0.00008428 0.46218 3.08642
51 1Q2C COA 0.002887 0.41192 3.08642
52 4WZ6 ATP 0.005254 0.44383 3.10345
53 2VEZ G6P 0.00001504 0.45634 3.15789
54 2VEZ ACO 0.00006364 0.44182 3.15789
55 3BER AMP 0.01464 0.40895 3.21285
56 3UPY FOM 0.01851 0.4119 3.32226
57 3IIJ ADP 0.01381 0.4102 3.33333
58 3A4M ADP 0.005082 0.44134 3.46154
59 4QM7 GTP 0.007194 0.42413 3.50877
60 4AG5 ADP 0.006653 0.43886 3.65448
61 3RC3 ANP 0.01351 0.41488 3.65448
62 5XDR ADP 0.01474 0.4049 3.65448
63 3B5J 12D 0.007488 0.43264 3.7037
64 4RI1 ACO 0.000008406 0.50453 3.76344
65 1G3Q ADP 0.01845 0.40021 3.79747
66 1JJ7 ADP 0.00127 0.47894 3.84615
67 4U9W COA 0.000002033 0.54634 3.86473
68 2IL4 COA 0.0001028 0.49627 3.8835
69 1JJV ATP 0.006003 0.44161 3.8835
70 1N71 COA 0.000128 0.47664 3.88889
71 4BQS ADP 0.01946 0.40285 3.97727
72 4IEE AGS 0.007811 0.42688 3.98671
73 5HCN GCP 0.01855 0.40009 4.21456
74 3R96 AMP 0.0000000003431 0.73213 4.25532
75 3R96 ACO 0.0000000003431 0.73213 4.25532
76 1Y63 ADP 0.01351 0.41068 4.34783
77 4MPO AMP 0.03777 0.41215 4.57516
78 2X1L MET 0.02071 0.40597 4.65116
79 1G6H ADP 0.001194 0.48146 4.66926
80 3BFV ADP 0.01276 0.41189 4.79705
81 1Y2W NAG 0.02715 0.4006 4.92958
82 3GJ0 GDP 0.01254 0.41227 4.97738
83 3GJ7 GDP 0.01503 0.4045 4.97738
84 3GJ5 GDP 0.01663 0.40238 4.97738
85 3GJ4 GDP 0.01799 0.40073 4.97738
86 3D2M COA 0.00001207 0.46912 4.98339
87 3OJF IMJ 0.01619 0.40229 5.05837
88 3CH5 GDP 0.01699 0.40193 5.09259
89 4KVX ACO 0.00000009741 0.56523 5.12821
90 2D2F ADP 0.0006665 0.49855 5.2
91 4NSQ COA 0.00007533 0.49685 5.26316
92 2ZPA ACO 0.00002119 0.49967 5.31561
93 4C2X NHW 0.0002025 0.48438 5.31561
94 3LRE ADP 0.003344 0.45932 5.31561
95 4PSW COA 0.0001252 0.44517 5.31561
96 1G7C 5GP 0.01764 0.40496 5.31915
97 5HGZ ACO 0.000004072 0.53381 5.34979
98 3GJ8 GDP 0.01515 0.40433 5.43478
99 3UIE ANP 0.01033 0.41642 5.5
100 3TK1 GDP 0.01939 0.41122 5.64784
101 1CM0 COA 0.0001429 0.49534 5.95238
102 5H86 BCO 0.00006088 0.49066 5.95238
103 3TO7 COA 0.00002156 0.48507 6.15942
104 1I1D COA 0.000001476 0.53764 6.21118
105 1I1D 16G 0.000007878 0.46193 6.21118
106 1GHE ACO 0.000004662 0.52907 6.21469
107 2WPW ACO 0.00007223 0.50326 6.64452
108 3G2Y GF4 0.03215 0.40192 6.84411
109 4R3L COA 0.002189 0.43775 6.93642
110 4Z2S NDG 0.01129 0.42258 7.04225
111 4Z2S NAG 0.01129 0.42258 7.04225
112 1QSM ACO 0.000001248 0.52494 7.23684
113 2GK6 ADP 0.02533 0.40516 7.30897
114 3TE4 ACO 0.000007999 0.51705 7.90698
115 2IMG MLT 0.0197 0.41171 7.94702
116 2XT3 ADP 0.003904 0.45487 8.30565
117 5E5U MLI 0.01538 0.42908 8.54271
118 3LN9 FLC 0.01004 0.43293 8.63309
119 1GXU 2HP 0.00001696 0.5446 8.79121
120 4B47 GDP 0.02651 0.40003 8.9701
121 4UWJ MYA 0.0006211 0.48242 9.30233
122 4UWJ 7L5 0.0006211 0.48242 9.30233
123 1M4I PAP 0.0003841 0.46845 9.39227
124 1M4I COA 0.0003841 0.46845 9.39227
125 4CVN ADP 0.009309 0.42775 10.219
126 1V0C KNC 0.00000005962 0.4123 10.396
127 4H6U ACO 0.0001125 0.47434 10.5
128 5LKT BCO 0.002417 0.41684 10.6312
129 3DKP ADP 0.01692 0.40585 11.0204
130 2PS1 ORO 0.01252 0.41655 11.0619
131 5KTC FUH 0.0001173 0.40428 11.1702
132 5KTC COA 0.0001173 0.40428 11.1702
133 2CNT COA 0.0000002192 0.58396 11.875
134 2W58 ADP 0.002102 0.47288 11.8812
135 1KUV CA5 0.00003555 0.44078 12.5604
136 1YRE COA 0.00002334 0.47762 13.198
137 1GOJ ADP 0.003733 0.45658 13.289
138 3QDW A2G 0.03471 0.40256 15.3846
139 5K04 COA 0.00002315 0.49809 15.9468
140 2Y69 CHD 0.02355 0.40206 19.7674
141 1S7N COA 0.000000001097 0.69341 20.3297
142 3W5J GDP 0.006297 0.44308 21.0784
143 2VZZ SCA 0.0000000147 0.57007 21.5596
144 4AG9 COA 0.001888 0.45263 26.6667
Pocket No.: 2; Query (leader) PDB : 2ZW5; Ligand: COA; 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: 2zw5.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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