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Receptor
PDB id Resolution Class Description Source Keywords
5EXK 1.86 Å EC: 2.8.1.8 CRYSTAL STRUCTURE OF M. TUBERCULOSIS LIPOYL SYNTHASE WITH 6- THIOOCTANOYL PEPTIDE INTERMEDIATE MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) AUXILIARY IRON-SULFUR CLUSTER ADOMET RADICAL RADICAL SAM INSERTION TRANSFERASE
Ref.: CRYSTALLOGRAPHIC SNAPSHOTS OF SULFUR INSERTION BY L SYNTHASE. PROC.NATL.ACAD.SCI.USA V. 113 9446 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SF4 G:402;
K:402;
I:402;
C:402;
A:402;
E:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
GLU SER THR XOK SER VAL SER ASP B:599;
F:600;
H:600;
L:600;
D:599;
J:601;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data n/a n/a n/a n/a
5AD G:403;
C:403;
K:403;
E:403;
I:403;
A:403;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
251.242 C10 H13 N5 O3 C[C@@...
IMD A:405;
E:405;
Invalid;
Invalid;
none;
none;
submit data
69.085 C3 H5 N2 c1c[n...
MET C:404;
G:404;
K:404;
E:404;
A:404;
I:404;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
F3S A:401;
K:401;
C:401;
E:401;
G:401;
I:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
295.795 Fe3 S4 S1[Fe...
CL K:405;
A:406;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
IPA C:405;
Invalid;
none;
submit data
60.095 C3 H8 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EXK 1.86 Å EC: 2.8.1.8 CRYSTAL STRUCTURE OF M. TUBERCULOSIS LIPOYL SYNTHASE WITH 6- THIOOCTANOYL PEPTIDE INTERMEDIATE MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) AUXILIARY IRON-SULFUR CLUSTER ADOMET RADICAL RADICAL SAM INSERTION TRANSFERASE
Ref.: CRYSTALLOGRAPHIC SNAPSHOTS OF SULFUR INSERTION BY L SYNTHASE. PROC.NATL.ACAD.SCI.USA V. 113 9446 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5EXK - 5AD C10 H13 N5 O3 C[C@@H]1[C....
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 5EXK - 5AD C10 H13 N5 O3 C[C@@H]1[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4U0P - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4U0O - MTA C11 H15 N5 O3 S CSC[C@@H]1....
3 5EXK - 5AD C10 H13 N5 O3 C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5AD; Similar ligands found: 203
No: Ligand ECFP6 Tc MDL keys Tc
1 5AD 1 1
2 ADN 0.672727 0.854839
3 RAB 0.672727 0.854839
4 XYA 0.672727 0.854839
5 5N5 0.649123 0.854839
6 Y3J 0.649123 0.929825
7 MTA 0.639344 0.857143
8 5CD 0.637931 0.868852
9 A4D 0.637931 0.854839
10 EP4 0.633333 0.830769
11 M2T 0.622951 0.80597
12 DTA 0.596774 0.815385
13 3DH 0.59375 0.857143
14 CC5 0.568965 0.883333
15 7D7 0.568965 0.793651
16 S4M 0.565217 0.72
17 AOC 0.558824 0.828125
18 NEC 0.558824 0.885246
19 ZAS 0.552239 0.791045
20 A 0.552239 0.768116
21 AMP 0.552239 0.768116
22 LMS 0.552239 0.670886
23 ABM 0.550725 0.771429
24 A3N 0.550725 0.815385
25 6RE 0.544118 0.757143
26 SRA 0.544118 0.726027
27 3AM 0.537313 0.753623
28 DSH 0.536232 0.768116
29 MAO 0.535211 0.710526
30 3AD 0.532258 0.83871
31 SP1 0.529412 0.722222
32 RP1 0.529412 0.722222
33 J7C 0.528571 0.768116
34 A2D 0.528571 0.746479
35 5AS 0.527778 0.650602
36 GJV 0.521127 0.746479
37 SON 0.520548 0.716216
38 A3G 0.514286 0.80303
39 A12 0.513889 0.716216
40 BA3 0.513889 0.746479
41 AP2 0.513889 0.716216
42 M33 0.513514 0.760563
43 AU1 0.513514 0.726027
44 MHZ 0.513514 0.710526
45 AP5 0.506849 0.746479
46 B4P 0.506849 0.746479
47 ADP 0.506849 0.746479
48 AN2 0.5 0.736111
49 A7D 0.5 0.80303
50 2AM 0.5 0.742857
51 SAM 0.5 0.75
52 PRX 0.5 0.75
53 AT4 0.5 0.716216
54 SA8 0.493506 0.771429
55 AD9 0.493506 0.726027
56 ADX 0.493333 0.670886
57 CA0 0.493333 0.726027
58 2BA 0.493151 0.764706
59 A3P 0.493151 0.742857
60 CMP 0.493151 0.776119
61 HEJ 0.486842 0.746479
62 50T 0.486842 0.736111
63 5X8 0.486842 0.815385
64 ACP 0.486842 0.726027
65 A3T 0.486842 0.857143
66 ATP 0.486842 0.746479
67 SFG 0.486842 0.828125
68 7D5 0.485294 0.684932
69 9ZA 0.481928 0.72
70 9ZD 0.481928 0.72
71 SMM 0.481481 0.72
72 ANP 0.481013 0.726027
73 5FA 0.480519 0.746479
74 APR 0.480519 0.746479
75 AR6 0.480519 0.746479
76 APC 0.480519 0.716216
77 AQP 0.480519 0.746479
78 A3S 0.48 0.815385
79 OVE 0.478873 0.712329
80 AAT 0.475 0.746479
81 5AL 0.475 0.760563
82 EEM 0.475 0.75
83 A5D 0.474359 0.815385
84 ADV 0.474359 0.716216
85 SAP 0.474359 0.706667
86 AGS 0.474359 0.706667
87 ADP PO3 0.474359 0.768116
88 RBY 0.474359 0.716216
89 QQX 0.471429 0.708333
90 5F1 0.469697 0.78125
91 A5A 0.469136 0.675
92 SAI 0.468354 0.779412
93 G5A 0.468354 0.630952
94 SAH 0.468354 0.791045
95 103 0.464789 0.764706
96 QQY 0.464789 0.71831
97 ACK 0.464789 0.761194
98 S7M 0.463415 0.75
99 ACQ 0.4625 0.726027
100 T99 0.4625 0.716216
101 GAP 0.4625 0.726027
102 TAT 0.4625 0.716216
103 3L1 0.461538 0.772727
104 3D1 0.461538 0.772727
105 54H 0.457831 0.658537
106 52H 0.457831 0.650602
107 VMS 0.457831 0.658537
108 PAP 0.455696 0.732394
109 A2P 0.453333 0.753623
110 NOC 0.453125 0.790323
111 5I5 0.453125 0.913793
112 53H 0.452381 0.650602
113 DAL AMP 0.452381 0.760563
114 MAP 0.452381 0.706667
115 TSB 0.452381 0.666667
116 ADP ALF 0.451219 0.706667
117 ATF 0.451219 0.716216
118 ALF ADP 0.451219 0.706667
119 2VA 0.448718 0.830769
120 8QN 0.447059 0.760563
121 5SV 0.447059 0.710526
122 6YZ 0.445783 0.726027
123 SRP 0.445783 0.716216
124 VO4 ADP 0.445783 0.736111
125 SSA 0.445783 0.630952
126 ADP VO4 0.445783 0.736111
127 LSS 0.44186 0.635294
128 0UM 0.44186 0.760563
129 PAJ 0.44186 0.701299
130 7D3 0.44 0.666667
131 PPS 0.439024 0.65
132 1ZZ 0.438202 0.683544
133 NVA 2AD 0.4375 0.782609
134 62X 0.436782 0.72
135 NVA LMS 0.436782 0.627907
136 A22 0.435294 0.736111
137 D3Y 0.435294 0.791045
138 8X1 0.435294 0.609195
139 5CA 0.435294 0.630952
140 KB1 0.433333 0.736111
141 MYR AMP 0.433333 0.683544
142 ARJ 0.432836 0.774194
143 VRT 0.432099 0.794118
144 SO8 0.432099 0.818182
145 9X8 0.431818 0.72973
146 LEU LMS 0.431818 0.627907
147 K15 0.431818 0.739726
148 OAD 0.431818 0.75
149 S8M 0.430233 0.757143
150 OOB 0.430233 0.736111
151 GEK 0.430233 0.757143
152 25A 0.430233 0.746479
153 WAQ 0.426966 0.697368
154 GSU 0.426966 0.630952
155 3NZ 0.426966 0.782609
156 ADZ 0.425926 0.618182
157 AMO 0.425287 0.716216
158 ADQ 0.425287 0.726027
159 A1R 0.425287 0.697368
160 NSS 0.425287 0.630952
161 DSZ 0.425287 0.630952
162 A3R 0.425287 0.697368
163 4AD 0.425287 0.706667
164 2A5 0.425 0.68
165 TXA 0.422222 0.739726
166 BIS 0.422222 0.697368
167 9K8 0.422222 0.627907
168 3OD 0.422222 0.75
169 ME8 0.422222 0.683544
170 PTJ 0.422222 0.710526
171 SXZ 0.422222 0.75
172 00A 0.420455 0.697368
173 DLL 0.420455 0.736111
174 AHX 0.420455 0.688312
175 ATR 0.419753 0.742857
176 7D4 0.417722 0.666667
177 TAD 0.416667 0.679487
178 ADP BMA 0.41573 0.726027
179 3UK 0.41573 0.726027
180 A6D 0.41573 0.716216
181 26A 0.411765 0.787879
182 AFX 0.411765 0.716418
183 LAD 0.411111 0.679487
184 KAA 0.411111 0.609195
185 PR8 0.411111 0.670886
186 B5V 0.411111 0.716216
187 P5A 0.411111 0.602273
188 A A 0.411111 0.746479
189 V3L 0.409639 0.746479
190 B5M 0.408602 0.72973
191 YAP 0.408602 0.706667
192 B5Y 0.408602 0.72973
193 0XU 0.407407 0.828125
194 FYA 0.406593 0.736111
195 JB6 0.406593 0.697368
196 NB8 0.406593 0.688312
197 YSA 0.404255 0.630952
198 ZDA 0.402439 0.742857
199 25L 0.402174 0.736111
200 A A A 0.4 0.736111
201 101 0.4 0.708333
202 4UV 0.4 0.706667
203 TYR AMP 0.4 0.706667
Ligand no: 2; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 HSE 0.466667 0.617647
9 DAB 0.466667 0.636364
10 MHO 0.457143 0.717949
11 SME 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 DGL 0.424242 0.625
22 GGL 0.424242 0.625
23 GLU 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 FME 0.410256 0.84375
27 AME 0.410256 0.771429
28 LEU 0.40625 0.666667
29 JM6 0.4 0.7
30 CYS 0.4 0.666667
31 DCY 0.4 0.666667
32 C2N 0.4 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EXK; Ligand: MET; Similar sites found with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 5exk.bio6) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1TRD PGH 1.2
2 5G48 1FL 1.20846
3 5AE9 OKO 1.51057
4 6C6O ENG 1.81269
5 5BVE 4VG 1.81269
6 1YQD NAP 1.81269
7 4I3V NAD 1.81269
8 4B0T ADP 1.81269
9 1SW0 PGA 2.01613
10 6BKA FMN 2.1148
11 4QYS PLP SEP 2.1148
12 5AG3 3EB 2.1148
13 2Z6I FMN 2.1148
14 4ZUL UN1 2.41692
15 3VZ3 NAP 2.41692
16 3VZ3 SSN 2.41692
17 5DB3 58Q 2.41692
18 3OVR 5SP 2.63158
19 3UYK 0CX 2.71903
20 4EWN 0VR 2.7668
21 5N2D 8J8 2.77778
22 2Y88 2ER 2.86885
23 4WCX SAM 2.91667
24 5DQ8 FLF 2.91667
25 5O7E 9NB 3.02115
26 4PSW COA 3.02115
27 2OHH FMN 3.02115
28 2G37 FAD 3.0581
29 5NNS AKR 3.11111
30 1NFS DED 3.27869
31 4A0M NAD 3.32326
32 5FI3 NAP 3.32326
33 4Q4K FMN 3.32326
34 3KN5 ANP 3.38462
35 5M42 FMN 3.58423
36 4PHR UDP 3.61011
37 3HDY FDA 3.62538
38 2QXL ATP 3.62538
39 2X6T NAP 3.62538
40 3QSB 743 3.62538
41 2WME NAP 3.92749
42 2WOX NDP 3.92749
43 4AF0 IMP 3.92749
44 3E7S AT2 3.92749
45 5KJW 53C 3.92749
46 1LOR BMP 3.94737
47 2TPS TPS 3.96476
48 5T9F NAP 4.05904
49 5T9F TYR 4.05904
50 6AMI TRP 4.22961
51 3CF6 SP1 4.22961
52 6CUZ FEV 4.22961
53 6AM8 PLT 4.22961
54 4PZ2 NAD 4.22961
55 3TAY MN0 4.29448
56 1F5F DHT 4.39024
57 5VKT NAP 4.41989
58 1KDK DHT 4.51977
59 1MUU NAD 4.53172
60 5BSH PRO 4.69314
61 1QDS PGA 4.78088
62 3FGC FMN 4.83384
63 1TMO 2MD 4.83384
64 3VC3 C6P 4.83384
65 1JGT CMA 4.83384
66 1JGT APC 4.83384
67 2PV7 NAD 5.13595
68 1U1I NAD 5.13595
69 2ZRU FMN 5.13595
70 4YWV SSN 5.13595
71 1KPG SAH 5.22648
72 1KPH SAH 5.22648
73 1QPR PPC 5.28169
74 4LAE NAP 5.38922
75 4LAE 1VM 5.38922
76 4JTA NAP 5.43807
77 1ME8 RVP 5.43807
78 4Z0G 5GP 5.43807
79 6FRN FMN 5.43807
80 3T4L ZEA 5.55556
81 2G5C NAD 5.69395
82 1WP4 NDP 5.88235
83 3RHJ NAP 6.0423
84 5HI5 63Q 6.32911
85 2BP1 NDP 6.34441
86 2CVZ NDP 6.34441
87 1O9J NAD 6.34441
88 3W9Z FMN 6.52174
89 3FSY SCA 6.62651
90 4I8P NAD 6.64653
91 6GNO XDI 6.66667
92 2GAG NAD 6.66667
93 5YBN AKG 6.6879
94 1RM0 D6P 6.94864
95 1RM0 NAI 6.94864
96 1X7D ORN 6.94864
97 3H0L ADP 7.44681
98 1F76 FMN 7.55287
99 5NIU 8YZ 7.8125
100 4NMC 2OP 7.85498
101 4NMC FAD 7.85498
102 1Q6O LG6 7.87037
103 2WLG SOP 7.90698
104 5VSM MET 8.1761
105 5VSM 5AD 8.1761
106 4H6Q TFB 8.33333
107 4H6Q FAD 8.33333
108 3RYC GTP 8.39161
109 5CSS G3P 8.40708
110 1LYX PGA 8.46774
111 1LLU NAD 8.47953
112 5XVG 8FX 8.53242
113 4BVA T3 8.76133
114 3HNB 768 8.80503
115 1R6W 164 9.00621
116 2FLI DX5 9.09091
117 3EXS 5RP 9.50226
118 5U5G NAP 10.1695
119 2P3V SRT 10.5469
120 4I9A NCN 10.7639
121 5WAN FMN 10.8761
122 5O0B 9FE 11.1111
123 5A5W GUO 13.4387
124 5FP3 3JI 13.8973
125 5IQT AKG 13.9683
126 5IQT 6CU 13.9683
127 2A5F NAD 14.5078
128 3T7V SAM 20.5438
129 4JYD SAH 24.1692
130 4A2A ATP 37.5
Pocket No.: 2; Query (leader) PDB : 5EXK; Ligand: 5AD; Similar sites found with APoc: 162
This union binding pocket(no: 2) in the query (biounit: 5exk.bio6) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3DLS ADP 0.906344
2 2GU8 796 1.20846
3 1RE8 BD2 1.20846
4 5UL4 SAM 1.20846
5 5AE9 OKO 1.51057
6 3K5I AIR 1.51057
7 3K5I ADP 1.51057
8 4AZW ATP 1.51057
9 1Z2P ACP 1.54321
10 1Z2P I3S 1.54321
11 3SUC ATP 1.81269
12 4WNP 3RJ 1.81269
13 6EYT UDP 1.83486
14 5WGG SAM 2.1148
15 2W92 NGT 2.1148
16 3ORQ ADP 2.1148
17 2VQD AP2 2.1148
18 5I35 ANP 2.1148
19 3LXN MI1 2.20126
20 5WO4 B7V 2.31788
21 4GJ3 0XP 2.31788
22 2WSB NAD 2.3622
23 4E1Z 0MX 2.4055
24 4U98 ACP 2.41692
25 4LH7 1X8 2.41692
26 3C0G 3AM 2.41692
27 5USZ SKE 2.42215
28 3LXK MI1 2.44648
29 5ZCT ANP 2.61438
30 1OLT SAM 2.71903
31 3RFA SAM 2.71903
32 3OTX AP5 2.71903
33 1S1D GP2 2.71903
34 4NZN 2OU 2.72727
35 4NZN ANP 2.72727
36 1GSA ADP 2.8481
37 5N5U AMP 2.86624
38 5N5U 7N8 2.86624
39 4WCX SAM 2.91667
40 3KAL ADP 3.02115
41 2QK4 ATP 3.02115
42 2WZF UDP 3.02115
43 4AFH L0B 3.04348
44 2XOC ADP 3.06513
45 3AKK ADP 3.07692
46 3V4S ATP 3.10078
47 3V4S ADP 3.10078
48 4X7Q 3YR 3.20513
49 1XJD STU 3.32326
50 2VPQ ANP 3.32326
51 4GYI ADP 3.32326
52 4WAS COO 3.32326
53 3VOT ADP 3.32326
54 4BHN BH9 3.32326
55 3TXO 07U 3.32326
56 3HAV ATP 3.34448
57 4N70 2HX 3.35366
58 5E2N V14 3.42205
59 6CI9 NAP 3.4749
60 3VPC ADP 3.5461
61 3AQV TAK 3.62319
62 2Z23 LYS LYS LYS 3.62538
63 2HGS ADP 3.62538
64 2WTX UDP 3.62538
65 1GPE FAD 3.62538
66 2WTX VDO 3.62538
67 6E2O S0L 3.72881
68 4EUU BX7 3.76176
69 3EUT DCR 3.92749
70 4OH4 ANP 3.92749
71 4A4X JUP 3.94265
72 4FHD EEM 4.07609
73 4FHD 0TT 4.07609
74 3RI1 3RH 4.15335
75 1I7L ATP 4.20712
76 2PYW ADP 4.22961
77 6BQ6 TER 4.22961
78 5VZ0 ADP 4.22961
79 1Q8Y ADP 4.22961
80 3VPD ANP 4.27046
81 4WW8 VD9 4.53172
82 2YW2 ATP 4.53172
83 2Q7D ANP 4.83384
84 5C03 AGS 4.83384
85 2X3F APC 4.91228
86 4WOV 3SM 5.04732
87 3VZS CAA 5.05837
88 3VZS NAP 5.05837
89 6HTO 5AD 5.13595
90 6HTO MET 5.13595
91 1EHI ADP 5.13595
92 4L80 1VU 5.17241
93 4DFU QUE 5.2795
94 3ETH ATP 5.43807
95 4KS7 X4Z 5.47945
96 4V24 GYR 5.66038
97 5LXT ACP 5.74018
98 1PK8 ATP 5.74018
99 6ES0 BW8 5.99369
100 5YF9 NIO 6.0423
101 5EY0 GTP 6.20438
102 5Y0Q APC 6.34441
103 1TQP ATP 6.38298
104 2DTX BMA 6.43939
105 5C4L SIS 6.54206
106 5C4L 4XR 6.54206
107 4OCJ NDG 6.64653
108 5TDF ADP 6.64653
109 4R78 AMP 6.79612
110 1IOW PHY 6.86275
111 1IOW ADP 6.86275
112 2C94 TSF 6.875
113 4OCV ANP 6.94864
114 2PVN P63 6.94864
115 2Q8Z NUP 6.94864
116 4RDI ATP 7.29167
117 4RDH AMP 7.29167
118 4EN4 GT0 7.37179
119 4EN4 ATP 7.37179
120 4EN4 GT1 7.37179
121 1IA9 ANP 7.5
122 1QIN GIP 7.65027
123 1NFQ NAI 7.69231
124 4Y0X ADP 8.1571
125 1OPK P16 8.1571
126 1MJT ITU 8.1571
127 5VSM 5AD 8.1761
128 5VSM MET 8.1761
129 5TH5 7C5 8.36502
130 4JWJ SAH 8.41584
131 1T36 ADP 8.45921
132 5XVG 8FX 8.53242
133 2RHQ GAX 8.76133
134 1K6M AGS 8.76133
135 3VPB ADP 8.92857
136 1EJB INJ 8.92857
137 3ZS7 ATP 9
138 4K81 GTP 9.68992
139 3IQE F42 9.89399
140 5H62 UDP 9.96979
141 5AHW CMP 10.2041
142 4U5I BXP 11.1663
143 2R40 EPH 11.2782
144 1QFT HSM 11.4286
145 3WVR AMP 12.0846
146 4K39 SAM 12.3867
147 4K37 SAM 12.3867
148 4K38 SAM 12.3867
149 5GM1 SAH 12.7946
150 6C7Y ADP 12.8205
151 4NJH 2K8 13.0435
152 4NJH SAM 13.0435
153 3O9L LPN 13.253
154 5A5W GUO 13.4387
155 5DZT AMP 13.8973
156 5K2M ADP 16.9811
157 3GQK ATP 20.2454
158 3T7V SAM 20.5438
159 2FB3 GTP 21.7523
160 2FB3 5AD 21.7523
161 2FB3 MET 21.7523
162 4JYD SAH 24.1692
Pocket No.: 3; Query (leader) PDB : 5EXK; Ligand: MET; Similar sites found with APoc: 38
This union binding pocket(no: 3) in the query (biounit: 5exk.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3EAU PDN 1.52905
2 3EAU NDP 1.52905
3 4PXL NAD 1.81269
4 2Q3O FMN 2.1148
5 1VA6 P2S 2.41692
6 1VA6 ADP 2.41692
7 1NLI ADE 2.41935
8 2GJN NIS 2.43902
9 2XVD AS6 3.31126
10 5JE8 NAD 3.31126
11 6B5G CQY 3.32326
12 6B5G NAD 3.32326
13 3L4S 3PG 3.32326
14 4A2B AGS 3.32326
15 3VPH OXM 3.87097
16 3VPH NAD 3.87097
17 3KV8 FAH 4.31655
18 4LHD GLY 4.53172
19 2WK9 PLP 4.53172
20 1MV8 NAD 4.53172
21 1EP2 FMN 4.82315
22 3RG9 WRA 5
23 1XUJ BOZ 5.38117
24 5L2Z 70C 5.51181
25 1RV0 NDG 5.625
26 2HSA FMN 6.34441
27 2P1O IHP 6.64653
28 2P1O NLA 6.64653
29 2P1M IHP 6.64653
30 3GGO NAI 6.6879
31 4P5Z Q7M 6.94864
32 4O9S 2RY 6.97674
33 1O94 AMP 7.5
34 3GZ8 APR 9.25926
35 5YU3 NAD 9.88372
36 5YU3 PRO 9.88372
37 2QE0 NAP 12.3867
38 3GGU 017 17.1717
Pocket No.: 4; Query (leader) PDB : 5EXK; Ligand: 5AD; Similar sites found with APoc: 15
This union binding pocket(no: 4) in the query (biounit: 5exk.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2DM6 NAP 1.81269
2 5KBF CMP 2.32558
3 2ZB3 NDP 2.41692
4 4D79 ATP 2.53623
5 1M0W ANP 2.71903
6 4A3U FMN 2.71903
7 4UWH JXM 2.71903
8 4PJT 2YQ 3.02115
9 1ZK4 AC0 3.18725
10 1ZK4 NAP 3.18725
11 3KOX Z98 3.32326
12 3CY2 MB9 3.50318
13 4POO SAM 5.5
14 2GTE VA 5.64516
15 5FWA J7C 6.64653
Pocket No.: 5; Query (leader) PDB : 5EXK; Ligand: MET; Similar sites found with APoc: 28
This union binding pocket(no: 5) in the query (biounit: 5exk.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1E5D FMN 1.51057
2 4OJP MAL 1.81269
3 4QYS PLR 2.1148
4 3G6K FAD 2.5974
5 3G6K POP 2.5974
6 1VKO NAD 2.71903
7 1EXB NDP 2.91262
8 4WCX MET 2.91667
9 5L13 6ZE 3.02115
10 3L4S NAD 3.32326
11 1Y7P RIP 3.58744
12 3OTI C0T 3.62538
13 6GWR FEW 4.12698
14 6AM8 TRP 4.22961
15 4L2I NAD 4.56274
16 5EIB GTP 5.13595
17 5EYP GTP 5.13595
18 3GGO ENO 6.6879
19 4I9B NAD 6.94864
20 4LNU GTP 8
21 4USQ FAD 8.45921
22 1MJH ATP 9.25926
23 3KRU FMN 9.91254
24 3CW9 01A 10.2719
25 5XDT ZI7 11.039
26 4NJH 2K8 13.0435
27 4NJH SAM 13.0435
28 3AD8 NAD 15.2709
Pocket No.: 6; Query (leader) PDB : 5EXK; Ligand: 5AD; Similar sites found with APoc: 68
This union binding pocket(no: 6) in the query (biounit: 5exk.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4WB6 ATP 1.20846
2 1FCZ 156 1.2766
3 5LXM ADP 1.76678
4 4L3L 5FI 1.81269
5 3PE2 E1B 1.81269
6 2GJ5 VD3 1.85185
7 4UXL 5P8 1.86335
8 6BXI ANP 2.1148
9 2QF7 AGS 2.1148
10 4IDT T28 2.1148
11 2QCS ANP 2.4055
12 3FHQ BMA NGT MAN MAN 2.41692
13 5WNL STU 2.41692
14 4IJP 1EH 2.41692
15 4EWH T77 2.54545
16 1ZP9 ATP 2.71318
17 1ZTH ADP 2.71318
18 5W4W 9WG 2.71903
19 6C1S EFV 2.71903
20 5LUN ARG 2.71903
21 2Z7R STU 2.80374
22 4CQM NAP 2.86885
23 3RE4 TO1 3.10078
24 1Q9I FAD 3.32326
25 1Q9I TEO 3.32326
26 3MVH WFE 3.32326
27 6AC9 ANP 3.32326
28 5NW7 9C2 3.32326
29 5IH9 6BF 3.58209
30 1Y57 MPZ 3.62538
31 4BFM ANP 3.62538
32 4BUZ NAD 3.65854
33 1TV5 FMN 3.92749
34 3GQI ACP 3.92749
35 5LPZ ADP 3.92749
36 1PHK ATP 4.02685
37 6C0T EE4 4.22961
38 5OJI NAP 4.23077
39 1PFK ADP 4.375
40 5MY8 RXZ 4.53172
41 5T8O 76Z 4.53172
42 1VJY 460 4.9505
43 3IDB ANP 4.96894
44 6CQF F97 5.05051
45 4YZN 4K5 5.22648
46 3GGF GVD 5.31561
47 5EQY 5RA 5.43807
48 2Z81 PCJ 5.43807
49 4BCM T7Z 5.64784
50 5U6C 7YS 5.71429
51 4LRJ ANP 5.91716
52 3JVH HHV 6.01093
53 5W7R SAH 6.34441
54 6HOY TSN 6.62252
55 6HOY AR6 6.62252
56 3ZG6 APR 6.75676
57 2CSN CKI 7.55287
58 4WW7 AMP 7.66284
59 5JZJ AN2 8.41751
60 3TYZ XHP 8.57143
61 3TYZ PAB 8.57143
62 5IH1 6BQ 8.9404
63 5IH1 GDP 8.9404
64 3ORK AGS 9.00322
65 5M06 ADP 9.05797
66 5DMZ ADP 9.06344
67 6A1G 9OL 9.06344
68 5CKW ANP 9.06344
Pocket No.: 7; Query (leader) PDB : 5EXK; Ligand: MET; Similar sites found with APoc: 9
This union binding pocket(no: 7) in the query (biounit: 5exk.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1TLL NAP 1.20846
2 5OCM NAP 2.06186
3 1WPQ NAD 3.02115
4 1XF1 CIT 3.32326
5 5X7Q GLC GLC 3.62538
6 3QH2 3NM 5.88235
7 5L9O GOP 7.46269
8 4O97 NTX 7.85498
9 3FSM 2NC 10.8374
Pocket No.: 8; Query (leader) PDB : 5EXK; Ligand: 5AD; Similar sites found with APoc: 6
This union binding pocket(no: 8) in the query (biounit: 5exk.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4NBT NAD 1.66667
2 4Y30 SAH 1.81269
3 3FC2 IBI 2.1148
4 2AE2 PTO 2.69231
5 4WAS NAP 3.32326
6 4QTU SAM 8.14815
Pocket No.: 9; Query (leader) PDB : 5EXK; Ligand: 5AD; Similar sites found with APoc: 20
This union binding pocket(no: 9) in the query (biounit: 5exk.bio5) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3CGD FAD 1.51057
2 3CGD COA 1.51057
3 3CGD NAD 1.51057
4 5IXH OTP 1.86335
5 4R6W SAH 1.93798
6 6I6X H6B 2.1148
7 6I6R H62 2.1148
8 5IBE 69M 3.62538
9 4ZS4 ATP 3.90879
10 2TPS TPS 3.96476
11 5ANU 58T 4.43038
12 5JCM FAD 4.53172
13 5JCM ISD 4.53172
14 5JCM NAD 4.53172
15 4QMN DB8 5.16129
16 2R4J 13P 5.43807
17 2R4J FAD 5.43807
18 5W7R 9Z7 6.34441
19 4IRX INS 7.77027
20 2ZAT NAP 8.46154
Pocket No.: 10; Query (leader) PDB : 5EXK; Ligand: MET; Similar sites found with APoc: 7
This union binding pocket(no: 10) in the query (biounit: 5exk.bio5) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1R37 NAD 3.62538
2 6MVU K4V 3.92749
3 2C5S AMP 4.22961
4 2WK9 PLG 4.53172
5 2FXD DR7 6.06061
6 5HES 032 6.84039
7 5XVH NAP 8.16993
Pocket No.: 11; Query (leader) PDB : 5EXK; Ligand: 5AD; Similar sites found with APoc: 4
This union binding pocket(no: 11) in the query (biounit: 5exk.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4JWH SAH 1.91693
2 4JWF SAH 2.76498
3 2J62 GSZ 3.92749
4 6FYL 3NG 4.40771
Pocket No.: 12; Query (leader) PDB : 5EXK; Ligand: MET; Similar sites found with APoc: 4
This union binding pocket(no: 12) in the query (biounit: 5exk.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2C42 PYR 3.02115
2 2C42 TPP 3.02115
3 2BLE 5GP 5.43807
4 5LNQ CAA 10.2719
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