Receptor
PDB id Resolution Class Description Source Keywords
5ITV 2.26 Å EC: 1.1.1.385 CRYSTAL STRUCTURE OF BACILLUS SUBTILIS BACC DIHYDROANTICAPSI DEHYDROGENASE IN COMPLEX WITH NADH BACILLUS SUBTILIS (STRAIN 168) OXIDOREDUCTASE SHORT-CHAIN DEHYDROGENASES/REDUCTASES ROSSMNAD(P) BINDING DOMAIN
Ref.: PROBING THE INFLUENCE OF NON-COVALENT CONTACT NETWO IDENTIFIED BY CHARGE DENSITY ANALYSIS ON THE OXIDOR BACC. PROTEIN ENG. DES. SEL. 1 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI B:301;
D:301;
A:301;
C:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ITV 2.26 Å EC: 1.1.1.385 CRYSTAL STRUCTURE OF BACILLUS SUBTILIS BACC DIHYDROANTICAPSI DEHYDROGENASE IN COMPLEX WITH NADH BACILLUS SUBTILIS (STRAIN 168) OXIDOREDUCTASE SHORT-CHAIN DEHYDROGENASES/REDUCTASES ROSSMNAD(P) BINDING DOMAIN
Ref.: PROBING THE INFLUENCE OF NON-COVALENT CONTACT NETWO IDENTIFIED BY CHARGE DENSITY ANALYSIS ON THE OXIDOR BACC. PROTEIN ENG. DES. SEL. 1 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
6 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GEG - GLC C6 H12 O6 C([C@@H]1[....
12 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
20 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
21 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
22 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
23 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
25 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
26 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
27 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
28 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1IPE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 1IPF - TNE C8 H13 N O CN1[C@H]2C....
32 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 2ZAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
42 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
43 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
44 5ICM - GLC C6 H12 O6 C([C@@H]1[....
45 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 3LQF - MRY C4 H10 O4 C([C@H]([C....
52 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
55 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
62 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
64 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
68 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
71 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
72 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
75 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
76 3O03 - GCO C6 H12 O7 C([C@H]([C....
77 2DTX - BMA C6 H12 O6 C([C@@H]1[....
78 5FEU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
81 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
82 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
84 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
88 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
89 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ITV; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5itv.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5ITV; Ligand: NAI; Similar sites found: 535
This union binding pocket(no: 2) in the query (biounit: 5itv.bio3) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KIF GDL 0.042 0.40389 None
2 4CJX NAP 0.001224 0.42999 0.784314
3 3WMX NAD 0.0000000417 0.6046 1.17647
4 1J0X NAD 0.0003635 0.45024 1.17647
5 2HNK SAH 0.001401 0.44111 1.25523
6 5LOG SAH 0.0005096 0.46438 1.28755
7 5THY SAH 0.0008395 0.45081 1.56863
8 4LWP SAH 0.001474 0.44777 1.56863
9 2ZIF SAM 0.003037 0.42991 1.56863
10 1TE2 PGA 0.04746 0.40372 1.76991
11 1Y1P NMN AMP PO4 0.0000006531 0.57392 1.96078
12 3V1Y NAD 0.00004405 0.48433 1.96078
13 4K28 NAD 0.00009452 0.47502 1.96078
14 5E8J SAH 0.0007886 0.47382 1.96078
15 2UYQ SAM 0.002461 0.47056 1.96078
16 1OC2 TDX 0.00000023 0.44182 1.96078
17 1OC2 NAD 0.00000023 0.44182 1.96078
18 1N2X SAM 0.001707 0.43049 1.96078
19 1N4W FAD 0.001575 0.42538 1.96078
20 4MIG G3F 0.002283 0.4237 1.96078
21 1D4D FAD 0.002565 0.41711 1.96078
22 1CDO NAD 0.002744 0.41293 1.96078
23 2BRY FAD 0.001036 0.41035 1.96078
24 1FEC FAD 0.006799 0.4032 1.96078
25 4YMH SAH 0.002503 0.43012 2.08333
26 1L3I SAH 0.005886 0.40234 2.08333
27 2PXX SAH 0.001659 0.44159 2.32558
28 2PK3 A2R 0.00000007965 0.63352 2.35294
29 3G2O SAM 0.0002734 0.48096 2.35294
30 4RDH AMP 0.0004519 0.48044 2.35294
31 1ZQ9 SAM 0.0003756 0.4747 2.35294
32 5JE8 NAD 0.0001097 0.47241 2.35294
33 4RDI ATP 0.0007976 0.45987 2.35294
34 5F8F SFG 0.001421 0.45691 2.35294
35 3GU3 SAH 0.003284 0.45293 2.35294
36 5U5G NAP 0.0002817 0.44553 2.35294
37 4KRI SAH 0.001161 0.44467 2.35294
38 4J36 1HR 0.0005618 0.44286 2.35294
39 4J36 FAD 0.0002901 0.44167 2.35294
40 3A27 SAM 0.002326 0.43878 2.35294
41 5XVQ SAH 0.001606 0.4316 2.35294
42 5KVA SAM 0.002753 0.42498 2.35294
43 1X7D NAD 0.0005506 0.42198 2.35294
44 1X7D ORN 0.001334 0.42171 2.35294
45 1QAN SAH 0.0007478 0.4492 2.45902
46 2CUL FAD 0.001013 0.40173 2.58621
47 4IWN GEK 0.005775 0.40824 2.62009
48 1X87 NAD 0.00002255 0.50937 2.72232
49 4R1S NAP 0.000000006482 0.63675 2.7451
50 3ABI NAD 0.000005357 0.50739 2.7451
51 5LD5 NAD 0.000184 0.47111 2.7451
52 1WDK NAD 0.0001892 0.4706 2.7451
53 3DMH SAM 0.0007692 0.45247 2.7451
54 3GRU AMP 0.0007079 0.44654 2.7451
55 5KOK SAH 0.001676 0.4414 2.7451
56 2QZZ NAP 0.0004221 0.4408 2.7451
57 2QZZ EMF 0.0004543 0.4408 2.7451
58 2VVM FAD 0.0007122 0.4356 2.7451
59 1X14 NAD 0.004807 0.42807 2.7451
60 4KRG SAH 0.004853 0.42787 2.7451
61 5JJR SAH 0.00412 0.42751 2.7451
62 4C3Y FAD 0.00133 0.42618 2.7451
63 3DMH GMP 0.001107 0.42561 2.7451
64 4C3Y ANB 0.001963 0.4245 2.7451
65 3LKZ SFG 0.004426 0.42263 2.7451
66 5JCM FAD 0.005098 0.41946 2.7451
67 5JCM NAD 0.005288 0.41946 2.7451
68 5JCM ISD 0.005288 0.41946 2.7451
69 1E3I CXF 0.0002793 0.41807 2.7451
70 1Z82 NDP 0.002241 0.41362 2.7451
71 4BV6 FAD 0.004109 0.40718 2.7451
72 4XZ3 COA 0.007026 0.40465 2.7451
73 1VBO MAN MAN MAN 0.0458 0.40456 2.7451
74 1L7E NAI 0.006493 0.4033 2.7451
75 5X20 NAD 0.001028 0.40274 2.7451
76 4XUC SAM 0.001198 0.41983 2.75229
77 4XUC 43G 0.001198 0.41983 2.75229
78 2VT3 ATP 0.00003751 0.54429 2.7907
79 5E1M SAH 0.004645 0.4184 2.90456
80 1HDO NAP 0.000001399 0.50729 2.91262
81 1I1N SAH 0.004339 0.40238 3.09735
82 1RKX NAD 0.0000000207 0.59298 3.13725
83 2X6T NAP 0.000000186 0.56257 3.13725
84 1EQ2 NAP 0.0000003822 0.55074 3.13725
85 1O6Z NAD 0.00005855 0.48763 3.13725
86 1CER NAD 0.00005618 0.48013 3.13725
87 3ICT ADP 0.0008858 0.47641 3.13725
88 1GUZ NAD 0.00005147 0.47391 3.13725
89 3GCZ SAM 0.0009165 0.45713 3.13725
90 4JK3 NAD 0.000298 0.4513 3.13725
91 1G60 SAM 0.001131 0.449 3.13725
92 1HYH NAD 0.0001673 0.44764 3.13725
93 1ZMD NAI 0.0006934 0.43999 3.13725
94 2FZW NAD 0.000738 0.43823 3.13725
95 2Y6Q FAD 0.0002742 0.43497 3.13725
96 4J4H NAI 0.00133 0.43117 3.13725
97 4J4H 1J1 0.00133 0.43117 3.13725
98 3ICS FAD 0.0009953 0.42774 3.13725
99 5ULP KB1 0.001679 0.42755 3.13725
100 3I6I NDP 0.0001293 0.4213 3.13725
101 1F3L SAH 0.00368 0.41958 3.13725
102 4TXI FAD 0.0008834 0.41665 3.13725
103 1SC6 NAD 0.001283 0.4161 3.13725
104 4R5M NAP 0.001674 0.41578 3.13725
105 2F5Z FAD 0.003481 0.41192 3.13725
106 2I3G NAP 0.001623 0.41093 3.13725
107 1L1E SAH 0.01169 0.4069 3.13725
108 5DX8 SFG 0.006237 0.40683 3.13725
109 4R5M 4NO 0.002315 0.40519 3.13725
110 5DXA SFG 0.007146 0.40435 3.13725
111 5DX1 SFG 0.005514 0.40349 3.13725
112 2VDV SAM 0.0002441 0.49843 3.25203
113 1WY7 SAH 0.001827 0.4326 3.38164
114 3WLE NAD 0.0004126 0.41094 3.51906
115 1P77 ATR 0.0003199 0.51703 3.52941
116 4D3F NAP 0.00008862 0.4888 3.52941
117 1KYQ NAD 0.0004679 0.47493 3.52941
118 2C5A NAD 0.00000001916 0.47176 3.52941
119 2C5A GDC 0.00000001916 0.47176 3.52941
120 2CVQ NDP 0.00008271 0.46599 3.52941
121 4N49 SAM 0.0006523 0.45559 3.52941
122 1U1I NAD 0.00007258 0.44629 3.52941
123 4UCI SAM 0.001685 0.44129 3.52941
124 2DFV NAD 0.0001583 0.43842 3.52941
125 1D1T NAD 0.000249 0.43642 3.52941
126 5JGL SAM 0.003807 0.43276 3.52941
127 4XB2 HSE 0.0005509 0.42982 3.52941
128 1JX6 AI2 0.01486 0.42887 3.52941
129 4XB2 NDP 0.0001192 0.4277 3.52941
130 1ZH8 NAP 0.001676 0.41856 3.52941
131 1I36 NAP 0.006123 0.4101 3.52941
132 4D86 ADP 0.008642 0.40967 3.52941
133 5T9E NAP 0.001256 0.40458 3.52941
134 3W9F I3P 0.03321 0.40309 3.52941
135 2HK1 FUD 0.03864 0.40198 3.52941
136 4NON GDP 0.03575 0.4001 3.52941
137 3WV8 ATP 0.0002953 0.47492 3.66972
138 3MQ2 SAH 0.004212 0.43073 3.66972
139 5FA8 SAM 0.00208 0.42689 3.72671
140 5IN4 NAP 0.00001655 0.56492 3.92157
141 5IN4 6CK 0.00001621 0.56492 3.92157
142 5IN4 GDP 0.00001675 0.56345 3.92157
143 2Q1W NAD 0.0000001431 0.54793 3.92157
144 5L4L NAP 0.0000009421 0.50766 3.92157
145 5KKA 6V0 0.000009386 0.48797 3.92157
146 5MPT SAH 0.0002032 0.4868 3.92157
147 5L4L 7OX 0.00003812 0.48067 3.92157
148 1WP4 NDP 0.0003222 0.44656 3.92157
149 1NYT NAP 0.00057 0.44343 3.92157
150 1V8B NAD 0.0005162 0.43621 3.92157
151 1JQ3 AAT 0.0005686 0.42006 3.92157
152 5DN9 NAD 0.0005592 0.41961 3.92157
153 2CVZ NDP 0.001886 0.41942 3.92157
154 1N7G GDR 0.00000237 0.41863 3.92157
155 1XDS SAM 0.01433 0.41282 3.92157
156 4JBL MET 0.02875 0.4128 3.92157
157 3S5W FAD 0.001663 0.41054 3.92157
158 3S5W NAP 0.02042 0.40533 3.92157
159 1UWK NAD 0.00008483 0.40358 3.92157
160 1UWK URO 0.00008483 0.40358 3.92157
161 1S7G APR 0.00295 0.40384 3.95257
162 3EWP APR 0.007065 0.40179 3.9548
163 1VE3 SAM 0.003437 0.43108 3.96476
164 2XVM SAH 0.0003798 0.48915 4.0201
165 2B1N LYS ALA SER VAL GLY 0.03296 0.40563 4.06504
166 3OFK SAH 0.003001 0.42337 4.16667
167 2HMT NAI 0.02496 0.40713 4.16667
168 5L95 AMP 0.00001108 0.53827 4.31373
169 1SQF SAM 0.0002887 0.47988 4.31373
170 5JAQ NAI 0.000003562 0.46935 4.31373
171 4RQU NAD 0.0001795 0.45305 4.31373
172 3NJ4 AFX 0.002731 0.45256 4.31373
173 1G55 SAH 0.0009962 0.45144 4.31373
174 3NJ4 NAD 0.003097 0.45015 4.31373
175 3H8V ATP 0.000007086 0.44673 4.31373
176 3O7W SAM 0.003369 0.44332 4.31373
177 3L9W AMP 0.000383 0.43427 4.31373
178 1J49 NAD 0.000564 0.43394 4.31373
179 4RSL FAD 0.0001636 0.42622 4.31373
180 3L9W GSH 0.001149 0.42206 4.31373
181 2O07 MTA 0.001611 0.41923 4.31373
182 1QZZ SAM 0.01294 0.41497 4.31373
183 2O07 SPD 0.00232 0.40769 4.31373
184 2HYV UAP SGN IDS SGN IDS 0.04073 0.40614 4.31373
185 1GET NAP 0.0133 0.40472 4.31373
186 2O4C NAD 0.002637 0.40309 4.31373
187 3GD4 NAD 0.007873 0.40257 4.31373
188 1VM6 NAD 0.001112 0.43167 4.38596
189 3G89 SAM 0.001064 0.46753 4.41767
190 1EJ0 SAM 0.0001878 0.40309 4.44444
191 2V6G NAP 0.0000001994 0.55639 4.70588
192 2YX1 SFG 0.0005253 0.48234 4.70588
193 3OA2 NAD 0.0001202 0.45975 4.70588
194 1DJN ADP 0.0005205 0.45215 4.70588
195 1O94 ADP 0.0006431 0.44473 4.70588
196 2EXX NAP 0.00009431 0.44379 4.70588
197 4AZT SAM 0.006662 0.41802 4.70588
198 4YCA NDP 0.002101 0.41754 4.70588
199 4KXQ APR 0.004202 0.41711 4.70588
200 2GVC FAD 0.001764 0.41223 4.70588
201 5KVS NAP 0.004206 0.41109 4.70588
202 1GQ2 NAP 0.002723 0.40764 4.70588
203 1PS9 FAD 0.004207 0.40678 4.70588
204 3BGD SAH 0.007158 0.40432 4.70588
205 1VQW FAD 0.00161 0.4027 4.70588
206 5FI3 NAP 0.00362 0.40038 4.70588
207 3Q87 SAM 0.007292 0.40397 4.8
208 3P2E SAH 0.004024 0.42112 4.88889
209 5OFW 9TW 0.04084 0.40527 4.93274
210 2HK9 ATR 0.0001566 0.51983 5.09804
211 4D79 ATP 0.0001008 0.5006 5.09804
212 4GKV NAD 0.00001404 0.47002 5.09804
213 3T7S SAM 0.000907 0.45734 5.09804
214 2G5C NAD 0.0001625 0.45136 5.09804
215 2HK9 NAP 0.0003225 0.44993 5.09804
216 2VHW NAI 0.00009297 0.43412 5.09804
217 3UCL NAP 0.006728 0.41702 5.09804
218 3UCL FAD 0.006112 0.41687 5.09804
219 3UCL CYH 0.006112 0.41687 5.09804
220 2P41 SAH 0.008113 0.41412 5.09804
221 4DPL NAP 0.001636 0.41343 5.09804
222 1UXG FUM 0.02239 0.40149 5.09804
223 1UXG NAD 0.02239 0.40149 5.09804
224 4BVA NDP 0.003017 0.40091 5.09804
225 1R18 SAH 0.00113 0.44153 5.28634
226 5MSO NAP 0.00000001768 0.61942 5.4902
227 3GGO NAI 0.000093 0.47098 5.4902
228 3GGO ENO 0.000093 0.47098 5.4902
229 4NEC SAH 0.001158 0.46111 5.4902
230 2PV7 NAD 0.0001418 0.4605 5.4902
231 2B4R NAD 0.00008114 0.45934 5.4902
232 2CDU FAD 0.000139 0.45789 5.4902
233 4ZGS NAD 0.00004061 0.44495 5.4902
234 2B4R AES 0.0002771 0.4426 5.4902
235 2DBZ NAP 0.0007523 0.42913 5.4902
236 1U8X NAD 0.001189 0.42739 5.4902
237 2EJU SAH 0.004288 0.42672 5.4902
238 3IHG FAD 0.001141 0.42217 5.4902
239 3GWZ SAH 0.007825 0.42182 5.4902
240 3VYW SAM 0.004718 0.4181 5.4902
241 1F8G NAD 0.004214 0.41706 5.4902
242 3GXO SAH 0.02478 0.40122 5.4902
243 1JG3 ADN 0.001441 0.44822 5.53191
244 1RZ1 NAD 0.04882 0.40162 5.59006
245 5N53 8NB 0.00907 0.44204 5.64103
246 2DT5 NAD 0.0000851 0.46552 5.6872
247 1GY8 NAD 0.000000005992 0.613 5.88235
248 4ZRN NAD 0.00000000164 0.6074 5.88235
249 4GLL NAD 0.00000001185 0.60424 5.88235
250 1VL0 NAI 0.000000006751 0.58202 5.88235
251 1BW9 NAD 0.00006751 0.49386 5.88235
252 4ZRN UPG 0.00000001552 0.49205 5.88235
253 1MV8 NAD 0.00006576 0.4774 5.88235
254 1V59 NAD 0.001215 0.46963 5.88235
255 1C1X NAD 0.0001037 0.46954 5.88235
256 4OBW SAM 0.0006549 0.46376 5.88235
257 1MUU NAD 0.0002269 0.45963 5.88235
258 1BXG NAD 0.0001553 0.43345 5.88235
259 5XVK SAH 0.001611 0.43155 5.88235
260 4L8V NAP 0.0004044 0.43001 5.88235
261 5UAV TFB 0.0002645 0.42016 5.88235
262 5UAV NDP 0.0002645 0.42016 5.88235
263 1LUA NAP 0.005293 0.41592 5.88235
264 3CGB FAD 0.0004886 0.40522 5.88235
265 5JWC FAD 0.001001 0.40304 5.88235
266 5VN0 FAD 0.00045 0.40211 5.88235
267 5MGZ SAH 0.002056 0.43745 5.9322
268 1M2K APR 0.003763 0.4048 6.0241
269 1JAY NAP 0.007374 0.40664 6.13208
270 2FR1 NDP 0.0000000002981 0.65126 6.27451
271 3VPH NAD 0.00007989 0.44962 6.27451
272 3VPH OXM 0.00005452 0.44445 6.27451
273 5HJM MTA 0.001456 0.44411 6.27451
274 3CGD COA 0.002273 0.44146 6.27451
275 3CGD FAD 0.002273 0.44146 6.27451
276 3CGD NAD 0.002273 0.44146 6.27451
277 2A92 NAI 0.000208 0.43953 6.27451
278 4E5N NAD 0.0006214 0.42645 6.27451
279 5O4J 9KH 0.0008809 0.42487 6.27451
280 5O4J SAH 0.0008809 0.42487 6.27451
281 5O4J PJL 0.001026 0.42106 6.27451
282 1UP7 NAD 0.0004639 0.4148 6.27451
283 2EV9 NAP 0.001221 0.41142 6.27451
284 2EV9 SKM 0.001221 0.41142 6.27451
285 1EBF NAD 0.0005559 0.41045 6.27451
286 2ZWA SAH 0.00628 0.40963 6.27451
287 1KYZ SAH 0.01615 0.40359 6.27451
288 2Q0L NAP 0.01976 0.40268 6.27451
289 3A06 FOM 0.004101 0.40196 6.27451
290 3A06 NDP 0.003669 0.40148 6.27451
291 2YVJ NAI 0.001582 0.44638 6.42202
292 2PT9 2MH 0.0006579 0.42965 6.54206
293 2PT9 S4M 0.0009248 0.40502 6.54206
294 2BYC FMN 0.02379 0.40208 6.56934
295 4EUE NAI 0.0000001108 0.5586 6.66667
296 4PIV NDP 0.0000002124 0.55537 6.66667
297 5MDH NAD 0.00005309 0.47718 6.66667
298 4MDH NAD 0.00006065 0.47492 6.66667
299 3PT9 SAH 0.0007757 0.46042 6.66667
300 3FUU ADN 0.0008519 0.45446 6.66667
301 2GZ3 NAP 0.0004917 0.45015 6.66667
302 3M6W SAM 0.005843 0.42783 6.66667
303 5UAO FAD 0.001068 0.42657 6.66667
304 4OOE NDP 0.001431 0.42419 6.66667
305 1P0F NAP 0.001073 0.41899 6.66667
306 4CNK FAD 0.001787 0.41799 6.66667
307 5MQ6 NDP 0.007387 0.40374 6.66667
308 3FPF TNA 0.0004926 0.40175 6.66667
309 3FPF MTA 0.0004926 0.40175 6.66667
310 2RGJ FAD 0.001959 0.40035 6.66667
311 3HVJ 705 0.001237 0.40032 6.78733
312 1O8B ABF 0.04111 0.40056 6.84932
313 4HXY NDP 0.00000000009005 0.6808 7.05882
314 1RPN NDP 0.0000002542 0.51994 7.05882
315 2JJQ SAH 0.002987 0.44585 7.05882
316 3EVG SAH 0.001814 0.44368 7.05882
317 2GLX NDP 0.00113 0.43464 7.05882
318 1E7S NAP 0.004821 0.42303 7.05882
319 1NVM NAD 0.0009255 0.42001 7.05882
320 1TZD ADP 0.03846 0.41332 7.05882
321 2AOT SAH 0.01429 0.40939 7.05882
322 2DPM SAM 0.006464 0.40909 7.05882
323 4YMU ATP 0.02733 0.40991 7.27273
324 2I7C AAT 0.0008493 0.40985 7.42049
325 2F1K NAP 0.0000806 0.47389 7.45098
326 3QV1 NAD 0.0001362 0.4686 7.45098
327 1P31 EPU 0.001049 0.45448 7.45098
328 5X62 SAH 0.005836 0.42415 7.45098
329 4DMG SAM 0.0108 0.42262 7.45098
330 3GDH SAH 0.002529 0.42021 7.45098
331 3KLJ FAD 0.0009596 0.41106 7.45098
332 5GM1 SAH 0.005328 0.40971 7.45098
333 1P3D UMA 0.003991 0.40919 7.45098
334 4M73 SAH 0.0005699 0.40703 7.45098
335 3QVP FAD 0.006776 0.4006 7.45098
336 2OOR NAD 0.004525 0.41573 7.47126
337 1R6N 434 0.03022 0.4144 7.58294
338 4PVD NDP 0.00000006395 0.59721 7.84314
339 1I2B NAD 0.000719 0.4798 7.84314
340 1I2B USQ 0.000719 0.4798 7.84314
341 1I2B UPG 0.000719 0.4798 7.84314
342 3A4T SFG 0.0002981 0.46627 7.84314
343 1OMO NAD 0.0007523 0.44193 7.84314
344 1PL6 572 0.0004371 0.43358 7.84314
345 3L4S NAD 0.0005166 0.42528 7.84314
346 1PL6 NAD 0.00007761 0.42302 7.84314
347 2XVE FAD 0.003967 0.42188 7.84314
348 3L4S 3PG 0.0005626 0.41995 7.84314
349 3C6K SPD 0.00273 0.40869 7.84314
350 3C6K MTA 0.00273 0.40869 7.84314
351 4XQC NAD 0.00008946 0.4086 7.84314
352 4XQC 13D 0.0001137 0.40221 7.84314
353 3UU7 2OH 0.04057 0.40471 7.96813
354 4II2 ATP 0.0001744 0.48056 7.97546
355 1JNR FAD 0.006266 0.42125 8
356 4U7W NDP 0.00000001113 0.621 8.23529
357 1EZ4 NAD 0.00001885 0.49899 8.23529
358 1E5Q NDP 0.00009262 0.4641 8.23529
359 3OJO NAD 0.0003626 0.45874 8.23529
360 5H81 NAP 0.0005986 0.45333 8.23529
361 3JV7 NAD 0.0003389 0.43929 8.23529
362 2EG5 SAH 0.008569 0.42367 8.23529
363 1QO8 FAD 0.002246 0.41837 8.23529
364 1LDN NAD 0.00004266 0.46972 8.62745
365 3NTD FAD 0.004604 0.40221 8.62745
366 3CIF NAD 0.00006288 0.4568 9.01961
367 3VSE SAH 0.003939 0.44434 9.01961
368 3CIF G3H 0.0004578 0.43691 9.01961
369 1VI2 NAD 0.003269 0.42178 9.01961
370 1NPD NAD 0.006678 0.4028 9.01961
371 1NVT NAP 0.001373 0.43116 9.05923
372 2V3B FAD 0.000676 0.40022 9.09091
373 3OU2 SAH 0.003153 0.41334 9.17431
374 1ORR NAD 0.000000004008 0.60248 9.41177
375 4FZV SAM 0.0005472 0.45892 9.41177
376 2E5V FAD 0.001595 0.42516 9.41177
377 5FJN FAD 0.003317 0.41177 9.41177
378 5FJN BE2 0.003915 0.41177 9.41177
379 2NAD NAD 0.002298 0.41036 9.41177
380 2VYN NAD 0.000236 0.44849 9.80392
381 2YGM GLA NAG GAL FUC 0.03559 0.40387 9.80392
382 3KO0 TFP 0.007584 0.44561 9.90099
383 3MJE NDP 0.0000000002972 0.66829 10.0806
384 3EGI ADP 0.001439 0.48228 10.1942
385 5CAE COA 0.0006785 0.44377 10.1961
386 1LLU NAD 0.0003596 0.42131 10.1961
387 2YY7 NAD 0.000000005886 0.61329 10.5882
388 3S1S SAH 0.002376 0.42446 10.5882
389 1IM8 SAI 0.002946 0.42703 10.6557
390 5K7U SAM 0.005389 0.42221 10.6667
391 1E6E FAD 0.0007701 0.42961 10.9375
392 3KB6 NAD 0.0006117 0.43568 10.9804
393 5T9F NAP 0.000726 0.40498 10.9804
394 5T9F TYR 0.0006012 0.40449 10.9804
395 3P13 RIP 0.02805 0.42125 11.1111
396 5IL1 SAM 0.01091 0.40827 11.3208
397 3B20 NAD 0.0003057 0.45805 11.7647
398 2D2I NAP 0.000439 0.45526 11.7647
399 3TLJ SAH 0.0006255 0.4488 11.7647
400 5D4V SAH 0.001113 0.44181 11.7647
401 1OBB NAD 0.001619 0.4282 11.7647
402 4QTU SAM 0.0002342 0.47939 11.8519
403 1LSS NAD 0.00001498 0.52702 12.1429
404 5BUK FAD 0.001854 0.42358 12.1569
405 1OYF MHN 0.04192 0.40279 12.3967
406 1BXK NAD 0.00000000305 0.63641 12.549
407 1Y8Q ATP 0.0001099 0.47635 12.549
408 5FTW SAH 0.001044 0.44669 12.549
409 5U0L 8YP 0.03961 0.40138 12.549
410 2PZM UDP 0.000001618 0.54201 12.9412
411 2PZM NAD 0.000001618 0.54201 12.9412
412 3U31 NAD 0.005517 0.41204 12.9412
413 2Q46 NAP 0.00000005919 0.5869 13.0435
414 2HJR APR 0.000003661 0.5425 13.3333
415 1TI7 NAP 0.00104 0.44676 13.3333
416 2VUT NAD 0.001684 0.43763 13.3333
417 4PNE SAH 0.001622 0.43142 13.3333
418 4ONQ SFG 0.007204 0.41647 13.3333
419 3LU1 NAD 0.000000001125 0.64644 13.7255
420 3K6V CIT 0.0403 0.40803 13.7255
421 2NXE SAM 0.003192 0.43254 14.1732
422 2XYQ SAH 0.001363 0.44931 14.7541
423 3DXY SAM 0.01406 0.41692 15.1376
424 5F5N NAD 0.000002305 0.53529 15.2941
425 3A4V PYR 0.000000001947 0.58914 15.6863
426 3A4V NAD 0.000000001947 0.58914 15.6863
427 3CMC NAD 0.0009415 0.45101 15.6863
428 2DC1 NAD 0.0001161 0.4639 16.1017
429 1PZG A3D 0.00006067 0.43597 16.4706
430 3GFB NAD 0.0002539 0.45061 16.8627
431 3FU7 3DM 0.03722 0.40573 16.8627
432 3RIY NAD 0.002561 0.40084 17.2549
433 1XCL SAH 0.002541 0.4 17.8723
434 5L53 NAP 0.00000000007071 0.74953 18.0392
435 3O26 NDP 0.000000000004826 0.73594 18.0392
436 1WMA NDP 0.0000000002759 0.56453 18.0392
437 1WMA AB3 0.0000000002759 0.56453 18.0392
438 1RL4 BL5 0.002101 0.43007 18.617
439 5L4S 6KX 0.0000000001141 0.69158 18.8235
440 5L4S NAP 0.0000000001141 0.69158 18.8235
441 1FK8 NAD 0.000000000003627 0.7752 20.3922
442 4J1Q NDP 0.000000001786 0.61486 20.3922
443 3A25 SAM 0.002208 0.43981 20.3922
444 4O1M NAD 0.0000001006 0.56272 20.7843
445 3OJF NDP 0.00000001468 0.56794 21.1765
446 3OJF IMJ 0.0000000181 0.52607 21.1765
447 3EGV SAH 0.003734 0.43315 22.449
448 1EK6 NAI 0.00000001435 0.47451 25.098
449 2C29 NAP 0.000000912 0.46861 25.098
450 2C29 DQH 0.00000303 0.45292 25.098
451 1EK6 UPG 0.0000001021 0.44555 25.098
452 3OIG NAD 0.004537 0.44735 27.0588
453 1N5D NDP 0.00000000007074 0.6847 27.8431
454 4M38 SAH 0.002467 0.4304 28.5714
455 3ORF NAD 0.00000006483 0.58538 29.4821
456 5FA5 MTA 0.0001185 0.50792 30
457 1KEW NAD 0.0000002106 0.45509 30.9804
458 1KEW TYD 0.000000293 0.45488 30.9804
459 4TQG NDP 0.0000000005111 0.64071 32.549
460 2BD0 NAP 0.0000000000001221 0.77384 32.7869
461 5GT9 NAP 0.0000000005285 0.65222 32.9412
462 4J7U NAP 0.000000002544 0.64964 33.6806
463 4J7U YTZ 0.000000002544 0.64964 33.6806
464 3RJ5 NAD 0.00000000001678 0.63766 33.8583
465 3H4V DVP 0.0000000007032 0.67136 34.1176
466 3H4V NAP 0.000000003491 0.6425 34.1176
467 1Z6Z NAP 0.000000001112 0.63456 34.3972
468 1XSE NDP 0.000000000009692 0.73939 34.902
469 1GZ6 NAI 0.0000000003153 0.66056 34.902
470 3CH6 NAP 0.0000000001654 0.72379 35.2941
471 3CH6 311 0.0000000001654 0.72379 35.2941
472 4OHU NAD 0.00000006631 0.45338 35.2941
473 4OHU 2TK 0.00000006631 0.45338 35.2941
474 4Q9N NAI 0.00000004326 0.58107 35.6863
475 1ZBQ NAD 0.0000000001382 0.66359 37.2549
476 4YAG NAI 0.000000000001072 0.64057 39.2157
477 4K26 NDP 0.00000000004227 0.69302 40
478 4K26 SFF 0.0000000003084 0.59096 40
479 1QG6 NAD 0.00000003632 0.60636 40.7843
480 1QG6 TCL 0.00000003632 0.60636 40.7843
481 2PD4 DCN 0.00000009521 0.57635 40.7843
482 2PD4 NAD 0.0000001136 0.57345 40.7843
483 5CG1 NAD BBN 0.0000003501 0.42459 40.7843
484 1W8D NAP 0.000000000001834 0.79686 41.9608
485 1W73 NAP 0.000000000002571 0.79081 41.9608
486 1XG5 NAP 0.000000000006624 0.72296 41.9608
487 2WYV NAD 0.000001085 0.5336 42.7451
488 4D42 W0I 0.00000001023 0.63725 43.1373
489 4D42 NAP 0.00000001023 0.63725 43.1373
490 3WXB NDP 0.000000000009637 0.7169 43.5294
491 1W6U NAP 0.000000000002563 0.79087 43.9216
492 3JQF NAP 0.0000000002015 0.67467 43.9216
493 3JQG NAP 0.0000000009924 0.66204 43.9216
494 3V1U NAD 0.00001455 0.51616 43.9216
495 4CLO NAP 0.0000000002589 0.68485 44.3137
496 4CM9 NAP 0.0000000001378 0.68091 44.3137
497 4CME NAP 0.000000000227 0.67978 44.3137
498 3JQ8 NAP 0.0000000001715 0.67732 44.3137
499 3BMQ NAP 0.0000000001764 0.67685 44.3137
500 5JDC NAP 0.0000000003376 0.67315 44.3137
501 3BMN NAP 0.0000000002275 0.67268 44.3137
502 5JCJ NAP 0.0000000003589 0.67213 44.3137
503 4CM8 NAP 0.0000000003599 0.67209 44.3137
504 4CM4 NAP 0.00000000037 0.67162 44.3137
505 5K6A NAP 0.000000000108 0.67135 44.3137
506 3BMO NAP 0.0000000004336 0.66898 44.3137
507 3JQA NAP 0.0000000007158 0.66759 44.3137
508 4CLR NAP 0.0000000004863 0.66706 44.3137
509 4CMI NAP 0.0000000005669 0.6645 44.3137
510 3JQ7 NAP 0.0000000009863 0.66215 44.3137
511 3JQB NAP 0.00000000111 0.66013 44.3137
512 3JQ9 NAP 0.0000000004976 0.64736 44.3137
513 5JDI NAP 0.0000000004812 0.64144 44.3137
514 3U4C NDP 0.00007932 0.49195 44.3137
515 5JCJ 6JM 0.03601 0.40751 44.3137
516 2WD7 NAP 0.0000000005461 0.63953 44.7059
517 2VZ0 D64 0.000000009014 0.41982 44.7059
518 2VZ0 NAP 0.000000009014 0.41982 44.7059
519 2DKN NAI 0.0000000000002097 0.79643 45.4902
520 2JAH NDP 0.0000000000005074 0.76446 45.749
521 4OSP NAP 0.000000000001222 0.767 45.8824
522 4OSP 2V4 0.02022 0.42103 45.8824
523 2JAP NDP 0.0000000000004806 0.76533 46.5587
524 1MXH DHF 0.000000005069 0.56167 46.6667
525 1MXH NAP 0.000000008396 0.55528 46.6667
526 3OID NDP 0.00000000008383 0.68716 47.0588
527 3GEG NAD 0.00002159 0.51317 47.3684
528 4FC7 NAP 0.00000000001336 0.7383 47.8431
529 4FC7 COA 0.00000000001336 0.7383 47.8431
530 4O0L NDP 0.000000000001297 0.7493 48.3636
531 5THQ NDP 0.0000000000006743 0.75183 48.5294
532 3SJU NDP 0.0000000000003824 0.76902 48.6275
533 4ZA2 NAD 0.000000000003136 0.7201 49.4071
534 1ZEM NAD 0.00000000000007172 0.83388 49.4118
535 1E3W NAD 0.00000000000001699 0.82867 49.4118
536 5T2U NAP 0.00000000000008815 0.7655 50
Pocket No.: 3; Query (leader) PDB : 5ITV; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5itv.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5ITV; Ligand: NAI; 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: 5itv.bio3) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5ITV; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5itv.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5ITV; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5itv.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5ITV; Ligand: NAI; Similar sites found: 13
This union binding pocket(no: 7) in the query (biounit: 5itv.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MYD 164 0.01663 0.40505 1.5873
2 2WPF FAD 0.01155 0.42011 2.35294
3 3C1O NAP 0.000967 0.40592 3.13725
4 4OX5 DAL 0.03642 0.40187 3.74332
5 5BW4 SAM 0.0003626 0.41377 3.92157
6 3M89 GSP 0.02579 0.40261 3.92157
7 4MN7 SME 0.02763 0.40469 4.02685
8 3AXM 6PG 0.04117 0.40062 4.65116
9 4JBI NDP 0.005843 0.40391 4.70588
10 4B1L FRU 0.02966 0.40047 4.84848
11 5T7I LAT NAG GAL 0.02256 0.41858 6.45161
12 5HWK BEZ 0.04515 0.40218 9.58333
13 3JQ8 DX3 0.02795 0.41354 44.3137
Pocket No.: 8; Query (leader) PDB : 5ITV; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5itv.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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