Receptor
PDB id Resolution Class Description Source Keywords
5KVS 1.28 Å NON-ENZYME: OTHER SUBSTRATE ANALOG AND NADP+ BOUND STRUCTURE OF IRP3, A THIAZO IMINE REDUCTASE FROM YERSINIA ENTEROCOLITICA YERSINIA ENTEROCOLITICA IMINE REDUCTASE OXIDOREDUCTASE IRP3 SIDEROPHORE SUBSTRATHPTT-COOH YERSINIABACTIN
Ref.: HOLO STRUCTURE AND STEADY STATE KINETICS OF THE THI IMINE REDUCTASES FOR SIDEROPHORE BIOSYNTHESIS. BIOCHEMISTRY V. 55 5423 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP B:401;
A:401;
Valid;
Valid;
Atoms found MORE than expected: % Diff = 2;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
6XR B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
306.36 C13 H10 N2 O3 S2 c1ccc...
FMT B:404;
A:404;
Invalid;
Invalid;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
EDO B:403;
A:403;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KVS 1.28 Å NON-ENZYME: OTHER SUBSTRATE ANALOG AND NADP+ BOUND STRUCTURE OF IRP3, A THIAZO IMINE REDUCTASE FROM YERSINIA ENTEROCOLITICA YERSINIA ENTEROCOLITICA IMINE REDUCTASE OXIDOREDUCTASE IRP3 SIDEROPHORE SUBSTRATHPTT-COOH YERSINIABACTIN
Ref.: HOLO STRUCTURE AND STEADY STATE KINETICS OF THE THI IMINE REDUCTASES FOR SIDEROPHORE BIOSYNTHESIS. BIOCHEMISTRY V. 55 5423 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5KVS - 6XR C13 H10 N2 O3 S2 c1ccc(c(c1....
2 5KVQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5KVS - 6XR C13 H10 N2 O3 S2 c1ccc(c(c1....
2 5KVQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5KVS - 6XR C13 H10 N2 O3 S2 c1ccc(c(c1....
2 5KVQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Ligand no: 2; Ligand: 6XR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 6XR 1 1
2 WG8 0.472973 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KVS; Ligand: NAP; Similar sites found: 250
This union binding pocket(no: 1) in the query (biounit: 5kvs.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NJ4 NAD 0.001385 0.48303 1.03896
2 3NJ4 AFX 0.003972 0.46105 1.03896
3 4JDR FAD 0.01096 0.40449 1.03896
4 5H81 NAP 0.0006768 0.44151 1.2987
5 4KP7 NAP 0.003427 0.43175 1.2987
6 4KP7 1UQ 0.003156 0.42964 1.2987
7 3WQQ NDP 0.003883 0.42383 1.2987
8 3WQQ IB3 0.003883 0.42383 1.2987
9 1FEC FAD 0.009561 0.41146 1.2987
10 1EBF NAD 0.0002659 0.45052 1.39665
11 2G5C NAD 0.0001452 0.43348 1.42349
12 3WGT QSC 0.005311 0.42429 1.44092
13 3WGT FAD 0.005484 0.42284 1.44092
14 5N53 8NB 0.004426 0.44923 1.53846
15 1V8B NAD 0.0001341 0.48005 1.55844
16 1X87 NAD 0.0004958 0.44333 1.55844
17 1GQ2 NAP 0.002708 0.41624 1.55844
18 1E5Q NDP 0.00107 0.40724 1.55844
19 5X20 NAD 0.00424 0.40392 1.60256
20 3TWO NDP 0.003906 0.41731 1.72414
21 1UWK URO 0.001123 0.45096 1.81818
22 1UWK NAD 0.001123 0.45096 1.81818
23 3ICT ADP 0.006084 0.42659 1.81818
24 3ICS FAD 0.003317 0.42365 1.81818
25 3CGD FAD 0.02516 0.40981 1.81818
26 3CGD COA 0.02516 0.40981 1.81818
27 3CGD NAD 0.02516 0.40981 1.81818
28 1U1I NAD 0.00625 0.40761 1.81818
29 1AE1 NAP 0.007575 0.40295 1.8315
30 2O4C NAD 0.001275 0.43247 1.84211
31 1PL6 572 0.0005741 0.44819 1.96629
32 1PL6 NAD 0.0002709 0.43788 1.96629
33 1X7D ORN 0.0003047 0.46635 2
34 1X7D NAD 0.0001954 0.46289 2
35 1VI2 NAD 0.002022 0.40759 2
36 5T2U NAP 0.006746 0.40505 2.01613
37 3UCL NAP 0.009799 0.42432 2.07792
38 3UCL CYH 0.008974 0.42423 2.07792
39 3UCL FAD 0.008974 0.42423 2.07792
40 1NPD NAD 0.002339 0.41272 2.08333
41 2VHW NAI 0.00003992 0.4246 2.12202
42 2J0B UDP 0.01706 0.40778 2.14286
43 4CJX NAP 0.001501 0.41509 2.19436
44 1BW9 NAD 0.0007195 0.4404 2.24719
45 1BXG NAD 0.00323 0.41021 2.24719
46 1C1X HFA 0.01921 0.40237 2.25352
47 1HYH NAD 0.0004573 0.41249 2.26537
48 1OBB NAD 0.003953 0.40358 2.33766
49 2E5V FAD 0.01363 0.4022 2.33766
50 3A06 FOM 0.009427 0.40232 2.39362
51 3A06 NDP 0.00836 0.40232 2.39362
52 1OMO NAD 0.0001866 0.45667 2.48447
53 5LD5 NAD 0.0008815 0.43314 2.51397
54 1KEV NDP 0.0005778 0.4508 2.5641
55 4KQW NAP 0.004361 0.41414 2.57143
56 2Q0L NAP 0.006324 0.41782 2.57235
57 5G3U FDA 0.001729 0.43565 2.5974
58 5G3U ITW 0.003091 0.43098 2.5974
59 1UP7 NAD 0.004446 0.40309 2.5974
60 4M52 FAD 0.01244 0.40304 2.5974
61 3JV7 NAD 0.0003784 0.41737 2.6087
62 3WLE NAD 0.0002373 0.40004 2.6393
63 1O6Z NAD 0.002429 0.41206 2.64026
64 3V1Y NAD 0.001532 0.41057 2.67062
65 1J0X NAD 0.0017 0.44123 2.71084
66 1PZG A3D 0.00555 0.41311 2.71903
67 4E5N NAD 0.001733 0.42698 2.72727
68 1YQZ FAD 0.00769 0.42397 2.73973
69 2HJR APR 0.001674 0.4149 2.7439
70 4D42 W0I 0.01342 0.40741 2.83688
71 4D42 NAP 0.01342 0.40741 2.83688
72 2XVE FAD 0.02704 0.40003 2.85714
73 4D3F NAP 0.001543 0.41299 2.90323
74 1GUZ NAD 0.001281 0.40402 2.90323
75 5JE8 NAD 0.0001008 0.46131 2.98013
76 2A92 NAI 0.002652 0.42067 3.11526
77 1V59 NAD 0.003174 0.44025 3.11688
78 4EDF UPG 0.003339 0.43224 3.11688
79 1M2W NAD 0.003554 0.40843 3.11688
80 1LJ8 NAD 0.005105 0.405 3.11688
81 2V3B FAD 0.01006 0.40218 3.125
82 1ZQ9 SAM 0.0006778 0.41227 3.15789
83 1LDN NAD 0.0002112 0.46466 3.16456
84 2DFV NAD 0.0002335 0.45809 3.17003
85 1NVM NAD 0.0001233 0.47429 3.20513
86 4BVA NDP 0.0005589 0.40754 3.28358
87 1YJQ NAP 0.0004945 0.45227 3.30033
88 4K28 NAD 0.00002228 0.48652 3.34572
89 2X6T NAP 0.001852 0.42442 3.36134
90 1WDK NAD 0.0001435 0.46528 3.37662
91 1MUU NAD 0.0001735 0.45206 3.37662
92 1MV8 NAD 0.0001299 0.45122 3.37662
93 3NTA FAD 0.01008 0.40314 3.37662
94 4TQG NDP 0.002313 0.41905 3.40557
95 5GT9 NAP 0.001562 0.42885 3.42205
96 1WP4 NDP 0.002207 0.41842 3.46021
97 1VM6 NAD 0.001339 0.41761 3.50877
98 1LSS NAD 0.005247 0.40761 3.57143
99 2FZW NAD 0.0002478 0.47723 3.63636
100 1SC6 NAD 0.0006181 0.44686 3.63636
101 2GCG NDP 0.0005214 0.44548 3.63636
102 3NTD FAD 0.008676 0.40592 3.63636
103 2PV7 NAD 0.0005061 0.42424 3.69128
104 5UAV TFB 0.00001898 0.51576 3.72671
105 5UAV NDP 0.00001898 0.51576 3.72671
106 2GZ3 NAP 0.01333 0.40677 3.8961
107 4XZ3 COA 0.00003624 0.48966 3.91304
108 4XYM COA 0.000133 0.48654 3.91304
109 1XG5 NAP 0.003402 0.4149 3.94265
110 3NGL NAP 0.002182 0.42379 3.98551
111 1P0F NAP 0.001066 0.43707 4.02145
112 4JK3 NAD 0.0005696 0.42668 4.15584
113 1NVT NAP 0.001117 0.42557 4.18118
114 1J49 NAD 0.0009388 0.4088 4.2042
115 3HAD NAD 0.0006443 0.46433 4.22078
116 4RQU NAD 0.001505 0.42667 4.26667
117 1P77 ATR 0.001844 0.46754 4.41176
118 3OND ADN 0.0002728 0.47963 4.41558
119 3OND NAD 0.0002728 0.47963 4.41558
120 4J4H 1J1 0.001749 0.44357 4.41558
121 4J4H NAI 0.001749 0.44357 4.41558
122 5U8U FAD 0.01364 0.41598 4.41558
123 1DJN ADP 0.004145 0.4057 4.41558
124 1CF2 NAP 0.0005104 0.44264 4.45104
125 5OFW 9TW 0.004396 0.44747 4.4843
126 3VPH OXM 0.0006003 0.45141 4.51613
127 3VPH NAD 0.001003 0.43951 4.51613
128 1Y8Q ATP 0.001286 0.42312 4.62428
129 4JJF N2I 0.001182 0.43242 4.65116
130 4JJF FE9 0.001192 0.42931 4.65116
131 5CAE COA 0.0001735 0.45794 4.67532
132 2B4R AES 0.0014 0.4294 4.67532
133 2B4R NAD 0.001638 0.42799 4.67532
134 5CAE SIN 0.0001797 0.41629 4.67532
135 2VVM FAD 0.01154 0.4026 4.67532
136 5ITV NAI 0.004206 0.41109 4.70588
137 4D79 ATP 0.001579 0.43731 4.71014
138 1KYQ NAD 0.0001067 0.49416 4.74453
139 1YS4 NAP 0.0008293 0.42286 4.80226
140 4EMI NAD 0.01079 0.41803 4.87805
141 1QG6 TCL 0.01118 0.40593 4.98084
142 1QG6 NAD 0.01118 0.40593 4.98084
143 4YCA NDP 0.00041 0.43182 5.10204
144 2VYN NAD 0.0008741 0.41002 5.13595
145 5T9F TYR 0.004039 0.41895 5.16605
146 5T9F NAP 0.003992 0.41805 5.16605
147 4NBU NAI 0.0055 0.40628 5.2
148 1LLU NAD 0.0006654 0.44824 5.26316
149 2D2I NAP 0.005476 0.40076 5.26316
150 1F06 NDP 0.007538 0.40062 5.3125
151 5KKA 6V0 0.004879 0.40969 5.44872
152 3ZNN FAD 0.009026 0.41947 5.4755
153 3ZNN 4WL 0.009026 0.41947 5.4755
154 2NXE SAM 0.01045 0.40101 5.51181
155 2F1K NAP 0.000281 0.45313 5.71429
156 2WPF WPF 0.02407 0.41794 5.71429
157 2WPF FAD 0.02428 0.41651 5.71429
158 1PN0 FAD 0.01452 0.40434 5.71429
159 1PN0 IPH 0.01513 0.40434 5.71429
160 3D3W NAP 0.003734 0.41575 5.7377
161 1PR9 NAP 0.004586 0.41204 5.7377
162 1EJ4 M7G 0.03969 0.40523 5.78947
163 3QV1 NAD 0.003134 0.40921 6.09756
164 2YYY NAP 0.001481 0.40284 6.12245
165 3CIF NAD 0.001212 0.43052 6.12813
166 3CIF G3H 0.001963 0.42985 6.12813
167 3CMC NAD 0.01741 0.41175 6.28743
168 4MDH NAD 0.00135 0.4075 6.28743
169 3CH6 311 0.007502 0.4258 6.29371
170 3CH6 NAP 0.007502 0.4258 6.29371
171 5MDH NAD 0.00183 0.40201 6.30631
172 4GUT FAD 0.01178 0.40751 6.45161
173 1PS9 FAD 0.009978 0.40624 6.49351
174 3H8V ATP 0.0003636 0.42106 6.50685
175 1O94 ADP 0.003409 0.40616 6.5625
176 2QZZ EMF 0.007928 0.40759 6.60377
177 2QZZ NAP 0.007495 0.40759 6.60377
178 1CDO NAD 0.0004495 0.43035 6.75325
179 1ZMD NAI 0.004655 0.40073 7.01299
180 3Q9N COA 0.0008998 0.43268 7.0922
181 2GMM MAN MAN 0.02001 0.40924 7.14286
182 2GNB MAN 0.02078 0.40473 7.14286
183 1UKG MMA 0.03168 0.40152 7.14286
184 4J36 1HR 0.009324 0.40934 7.27273
185 4J36 FAD 0.005526 0.40866 7.27273
186 2PD4 DCN 0.008844 0.4024 7.27273
187 2PD4 NAD 0.009336 0.40141 7.27273
188 5T9E NAP 0.002058 0.41814 7.38007
189 3GFB NAD 0.0002625 0.43317 7.42857
190 1D1T NAD 0.0004528 0.40685 7.5067
191 2NAD NAD 0.006375 0.40838 7.53247
192 2CUL FAD 0.006509 0.408 7.75862
193 5E4R NAP 0.002981 0.41454 7.79221
194 2XG5 EC2 0.02822 0.40839 7.79817
195 2XG5 EC5 0.02822 0.40839 7.79817
196 2PZM UDP 0.01221 0.40427 7.87879
197 2PZM NAD 0.01221 0.40427 7.87879
198 5M67 3D1 0.0002291 0.48394 8.05195
199 5M67 NAD 0.0002305 0.48382 8.05195
200 5M67 ADE 0.0002333 0.4836 8.05195
201 1JNR FAD 0.01449 0.41937 8.05195
202 5N2I NAP 0.0026 0.40073 8.18966
203 1X14 NAD 0.0007733 0.45536 8.31169
204 1DIG NAP 0.0008945 0.44022 8.49673
205 1DIG L37 0.000964 0.44022 8.49673
206 1YQD NAP 0.006793 0.40493 8.57143
207 4XUC 43G 0.008396 0.40224 8.7156
208 4XUC SAM 0.008396 0.40224 8.7156
209 1QO8 FAD 0.007518 0.41246 8.83117
210 2VT3 ATP 0.00001154 0.55794 8.83721
211 3AYI FAD 0.001897 0.44642 9.09091
212 3AYI HCI 0.001981 0.44642 9.09091
213 4FC7 NAP 0.01199 0.40373 9.09091
214 4FC7 COA 0.01199 0.40373 9.09091
215 1EZ4 NAD 0.0005801 0.44039 9.43396
216 4J7U YTZ 0.005444 0.4185 9.72222
217 4J7U NAP 0.005444 0.4185 9.72222
218 5BSH PRO 0.00009696 0.48016 9.74729
219 4II2 ATP 0.001185 0.43503 9.81595
220 1Z6Z NAP 0.003369 0.41374 9.92908
221 5L95 AMP 0.001939 0.42958 10
222 4L8V NAP 0.0004552 0.44943 10.089
223 1GY8 NAD 0.003545 0.41416 10.1299
224 1XSE NDP 0.005436 0.41659 10.1695
225 3S5W NAP 0.0149 0.40407 10.3896
226 2AOT SAH 0.01425 0.40148 10.6164
227 2DT5 NAD 0.00009558 0.44527 10.9005
228 3ABI NAD 0.001019 0.43506 10.9589
229 4XB2 HSE 0.001763 0.42802 11.1688
230 4XB2 NDP 0.0008779 0.42625 11.1688
231 2AHR NAP 0.0006571 0.40626 11.1969
232 4RDH AMP 0.0006081 0.46475 11.8056
233 4RDI ATP 0.0009269 0.40625 11.8056
234 2B4Q NAP 0.006931 0.40086 12.6812
235 5AYV KPL 0.0002995 0.46407 12.945
236 5AYV NAP 0.0003577 0.44144 12.945
237 2CDC NAP 0.002789 0.44718 13.6612
238 2CDC XYS 0.002789 0.44718 13.6612
239 2CDC XYP 0.002862 0.44668 13.6612
240 5GZ6 NDP 0.001979 0.42559 13.8037
241 5GZ6 7C3 0.003384 0.4093 13.8037
242 3GGO ENO 0.0003657 0.46775 14.9682
243 3GGO NAI 0.0003657 0.46775 14.9682
244 2GLX NDP 0.0007169 0.43328 15.3614
245 5F7J ADE 0.0349 0.40215 15.625
246 2HK9 ATR 0.001382 0.4628 16.6234
247 2HK9 NAP 0.001442 0.41259 16.6234
248 1ZH8 NAP 0.00004416 0.46248 19.7059
249 4HSU FAD 0.009562 0.40975 20
250 2F5Z FAD 0.01344 0.40247 26.5625
Pocket No.: 2; Query (leader) PDB : 5KVS; Ligand: 6XR; 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: 5kvs.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5KVS; Ligand: 6XR; Similar sites found: 141
This union binding pocket(no: 3) in the query (biounit: 5kvs.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NJ4 NAD 0.00604 0.43301 1.03896
2 3NJ4 AFX 0.01392 0.41742 1.03896
3 1G0H IPD 0.01643 0.4088 1.19048
4 5H81 NAP 0.0008332 0.44994 1.2987
5 4KP7 NAP 0.002803 0.41454 1.2987
6 2G5C NAD 0.000412 0.43895 1.42349
7 5N53 8NB 0.006807 0.45003 1.53846
8 1X87 NAD 0.00143 0.43639 1.55844
9 1V8B NAD 0.0005886 0.4285 1.55844
10 1E5Q NDP 0.00243 0.41213 1.55844
11 3ICT ADP 0.00693 0.43462 1.81818
12 1UWK URO 0.003021 0.41149 1.81818
13 1UWK NAD 0.003021 0.41149 1.81818
14 3CGD FAD 0.01146 0.40784 1.81818
15 3CGD NAD 0.01146 0.40784 1.81818
16 3CGD COA 0.01146 0.40784 1.81818
17 1PL6 572 0.001486 0.40729 1.96629
18 1X7D ORN 0.001096 0.41974 2
19 1X7D NAD 0.000633 0.41107 2
20 2VVG ADP 0.03028 0.40334 2
21 5MQ6 NDP 0.00648 0.40858 2.07792
22 3UCL NAP 0.01254 0.4018 2.07792
23 1NPD NAD 0.005029 0.41037 2.08333
24 2VHW NAI 0.0002056 0.42817 2.12202
25 2J0B UDP 0.01925 0.41467 2.14286
26 4CJX NAP 0.002232 0.42202 2.19436
27 1BW9 NAD 0.001053 0.44556 2.24719
28 1C1X NAD 0.004656 0.40627 2.25352
29 1HYH NAD 0.001426 0.4157 2.26537
30 1OBB NAD 0.005045 0.41031 2.33766
31 1F8G NAD 0.008471 0.40645 2.34375
32 3LL5 IP8 0.04927 0.40481 2.40964
33 1OMO NAD 0.0003042 0.46104 2.48447
34 5LD5 NAD 0.001269 0.43859 2.51397
35 1KEV NDP 0.001268 0.41375 2.5641
36 2Q0L NAP 0.003035 0.44387 2.57235
37 5VN0 NAI 0.002622 0.4163 2.5974
38 3JV7 NAD 0.0004107 0.439 2.6087
39 3WLE NAD 0.000405 0.41943 2.6393
40 4XDY NAI 0.006431 0.40063 2.66272
41 3V1Y NAD 0.00281 0.41509 2.67062
42 1J0X NAD 0.002283 0.41423 2.71084
43 1YQZ FAD 0.003321 0.41965 2.73973
44 1GUZ NAD 0.002969 0.40876 2.90323
45 5JE8 NAD 0.0001878 0.46593 2.98013
46 1V59 NAD 0.004598 0.44351 3.11688
47 3GD4 NAD 0.002435 0.4266 3.11688
48 1M2W NAD 0.005905 0.41029 3.11688
49 1LJ8 NAD 0.008081 0.40734 3.11688
50 4EDF UPG 0.005278 0.40398 3.11688
51 1LDN NAD 0.0007466 0.41522 3.16456
52 2DFV NAD 0.0004647 0.41292 3.17003
53 1NVM NAD 0.0004619 0.42256 3.20513
54 4BVA NDP 0.001577 0.41406 3.28358
55 4K28 NAD 0.00003919 0.49372 3.34572
56 1WDK NAD 0.0002806 0.46633 3.37662
57 1MUU NAD 0.0003359 0.45562 3.37662
58 1MV8 NAD 0.0002858 0.45494 3.37662
59 1F9V ADP 0.02421 0.41941 3.45821
60 1VM6 NAD 0.002341 0.42118 3.50877
61 1LSS NAD 0.004347 0.42216 3.57143
62 2FZW NAD 0.001058 0.42688 3.63636
63 1SC6 NAD 0.001886 0.40351 3.63636
64 2PV7 NAD 0.001029 0.42956 3.69128
65 5UAV TFB 0.0001038 0.45628 3.72671
66 5UAV NDP 0.0001038 0.45628 3.72671
67 4XZ3 COA 0.00007177 0.49139 3.91304
68 4XYM COA 0.0008029 0.4293 3.91304
69 1CER NAD 0.00563 0.40296 3.92749
70 3NGL NAP 0.002953 0.42955 3.98551
71 1P0F NAP 0.002071 0.40212 4.02145
72 4JK3 NAD 0.0009643 0.43374 4.15584
73 1NVT NAP 0.001751 0.42944 4.18118
74 1J49 NAD 0.002222 0.41364 4.2042
75 3HAD NAD 0.001629 0.42448 4.22078
76 1P77 ATR 0.002867 0.46891 4.41176
77 3OND NAD 0.001118 0.42986 4.41558
78 3OND ADN 0.001118 0.42986 4.41558
79 4J4H 1J1 0.002728 0.41409 4.41558
80 4J4H NAI 0.002728 0.41409 4.41558
81 1DJN ADP 0.005515 0.41155 4.41558
82 5U8U FAD 0.01181 0.40104 4.41558
83 1NYT NAP 0.005268 0.40677 4.42804
84 5OFW 9TW 0.006547 0.44892 4.4843
85 3VPH OXM 0.002016 0.4076 4.51613
86 1Y8Q ATP 0.001435 0.43303 4.62428
87 5CAE COA 0.0003147 0.46043 4.67532
88 5CAE SIN 0.001361 0.41134 4.67532
89 4D79 ATP 0.001467 0.45054 4.71014
90 1KYQ NAD 0.0001631 0.49913 4.74453
91 4EMI NAD 0.009883 0.40158 4.87805
92 4YCA NDP 0.001867 0.42222 5.10204
93 2VYN NAD 0.002027 0.41519 5.13595
94 1LLU NAD 0.001768 0.40847 5.26316
95 2D2I NAP 0.008096 0.40447 5.26316
96 2NXE SAM 0.01408 0.40554 5.51181
97 2WPF FAD 0.008238 0.42014 5.71429
98 2WPF WPF 0.009547 0.41878 5.71429
99 2F1K NAP 0.0005131 0.40911 5.71429
100 3B20 NAD 0.008352 0.40118 5.8997
101 2YYY NAP 0.004109 0.40327 6.12245
102 4MDH NAD 0.003284 0.40967 6.28743
103 5MDH NAD 0.004238 0.40529 6.30631
104 3KB6 NAD 0.00557 0.40059 6.58683
105 1CDO NAD 0.0006258 0.44128 6.75325
106 1ZMD NAI 0.003794 0.41261 7.01299
107 2GMM MAN MAN 0.03367 0.40556 7.14286
108 3GFB NAD 0.0009717 0.43055 7.42857
109 1D1T NAD 0.00143 0.41307 7.5067
110 5M67 NAD 0.0009442 0.43361 8.05195
111 5M67 ADE 0.0009935 0.43276 8.05195
112 5M67 3D1 0.001081 0.43134 8.05195
113 1JNR FAD 0.01138 0.40635 8.05195
114 1X14 NAD 0.000924 0.46399 8.31169
115 1EQ2 NAP 0.004426 0.40202 8.83117
116 2VT3 ATP 0.00001797 0.56342 8.83721
117 3AYI HCI 0.00568 0.40677 9.09091
118 3AYI FAD 0.005426 0.40677 9.09091
119 5BSH PRO 0.0005449 0.42289 9.74729
120 4II2 ATP 0.00195 0.43748 9.81595
121 5L95 AMP 0.002326 0.43766 10
122 4L8V NAP 0.001062 0.4069 10.089
123 3S5W NAP 0.0198 0.4049 10.3896
124 2AOT SAH 0.005094 0.43314 10.6164
125 2DT5 NAD 0.0002643 0.44953 10.9005
126 2AHR NAP 0.002828 0.40452 11.1969
127 2OOR NAD 0.009106 0.4051 11.4943
128 4RDH AMP 0.0009396 0.46814 11.8056
129 4YEE 4CQ 0.04252 0.40672 12.2222
130 5AYV KPL 0.001938 0.40823 12.945
131 2CDC XYP 0.007128 0.40984 13.6612
132 2CDC NAP 0.007979 0.40788 13.6612
133 2CDC XYS 0.007979 0.40788 13.6612
134 5GZ6 NDP 0.003314 0.42734 13.8037
135 5GZ6 7C3 0.00234 0.42734 13.8037
136 3GGO ENO 0.001587 0.41817 14.9682
137 3GGO NAI 0.001587 0.41817 14.9682
138 5F7J ADE 0.04966 0.40307 15.625
139 2HK9 ATR 0.001598 0.47143 16.6234
140 2HK9 NAP 0.003602 0.41075 16.6234
141 1ZH8 NAP 0.00009519 0.47035 19.7059
Pocket No.: 4; Query (leader) PDB : 5KVS; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5kvs.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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