Receptor
PDB id Resolution Class Description Source Keywords
4XDZ 1.15 Å EC: 1.1.1.86 HOLO STRUCTURE OF KETOL-ACID REDUCTOISOMERASE FROM IGNISPHAE AGGREGANS IGNISPHAERA AGGREGANS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: COFACTOR SPECIFICITY MOTIFS AND THE INDUCED FIT MEC CLASS I KETOL-ACID REDUCTOISOMERASES. BIOCHEM.J. V. 468 475 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPE A:405;
B:405;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
40E B:404;
A:404;
Valid;
Valid;
none;
none;
submit data
131.13 C5 H9 N O3 CC(C)...
GOL A:406;
B:406;
B:407;
A:407;
A:408;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NDP A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
MG A:402;
B:402;
B:403;
A:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XDZ 1.15 Å EC: 1.1.1.86 HOLO STRUCTURE OF KETOL-ACID REDUCTOISOMERASE FROM IGNISPHAE AGGREGANS IGNISPHAERA AGGREGANS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: COFACTOR SPECIFICITY MOTIFS AND THE INDUCED FIT MEC CLASS I KETOL-ACID REDUCTOISOMERASES. BIOCHEM.J. V. 468 475 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XDY - HIO C5 H9 N O4 CC(C)N(C(=....
2 5E4R - 40E C5 H9 N O3 CC(C)NC(=O....
3 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
4 4KQX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4KQW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4TSK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 40E; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 40E 1 1
2 NXA 0.4 0.642857
Ligand no: 2; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XDZ; Ligand: NDP; Similar sites found: 272
This union binding pocket(no: 1) in the query (biounit: 4xdz.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DQY BEZ 0.02384 0.40894 None
2 2B4R NAD 0.0003004 0.4547 1.16618
3 2B4R AES 0.001238 0.42838 1.16618
4 3V1Y NAD 0.0002818 0.44172 1.48368
5 3CMC NAD 0.002376 0.44799 1.49701
6 3CIF NAD 0.0002354 0.45585 1.74927
7 1BW9 NAD 0.0007865 0.44052 1.74927
8 5MBX FAD 0.003091 0.43574 1.74927
9 5MBX SP5 0.003091 0.43574 1.74927
10 1BXG NAD 0.001115 0.42566 1.74927
11 1YS4 NAP 0.0006369 0.4232 1.74927
12 1C1X NAD 0.001337 0.41602 1.74927
13 3CIF G3H 0.003855 0.4147 1.74927
14 4J4H 1J1 0.0004056 0.46757 1.9305
15 4J4H NAI 0.0004056 0.46757 1.9305
16 4JK3 NAD 0.0001448 0.45327 1.9305
17 3CGD COA 0.003529 0.44641 2.04082
18 3CGD FAD 0.003529 0.44641 2.04082
19 3CGD NAD 0.003529 0.44641 2.04082
20 5JCM NAD 0.00321 0.44151 2.04082
21 5JCM FAD 0.003099 0.44151 2.04082
22 5JCM ISD 0.00321 0.44151 2.04082
23 2DFV NAD 0.0005646 0.43903 2.04082
24 3UCL NAP 0.004124 0.4386 2.04082
25 3G5S FAD 0.001555 0.43331 2.04082
26 3UCL CYH 0.005012 0.4329 2.04082
27 3UCL FAD 0.005012 0.4329 2.04082
28 1EBF NAD 0.0006731 0.42868 2.04082
29 4OPC PGT 0.01563 0.42691 2.04082
30 4OPC FDA 0.01376 0.42662 2.04082
31 3JV7 NAD 0.0006396 0.41411 2.04082
32 1R37 NAD 0.01824 0.41186 2.04082
33 4K28 NAD 0.0004798 0.43851 2.23048
34 2AHR NAP 0.0003612 0.41905 2.3166
35 3NJ4 NAD 0.0009755 0.48706 2.33236
36 3NJ4 AFX 0.0009755 0.48706 2.33236
37 2HQM FAD 0.0003301 0.46714 2.33236
38 5LD5 NAD 0.0004465 0.44696 2.33236
39 4EMI NAD 0.002677 0.44223 2.33236
40 2D2I NAP 0.0007428 0.4379 2.33236
41 3S5W NAP 0.004199 0.43166 2.33236
42 4EMI FAD 0.003196 0.42142 2.33236
43 3E1T FAD 0.004275 0.42114 2.33236
44 3GD4 NAD 0.00351 0.41023 2.33236
45 3B20 NAD 0.0003006 0.4502 2.35988
46 4CJX NAP 0.003748 0.40322 2.50784
47 1SC6 NAD 0.0005579 0.44524 2.62391
48 1X7D ORN 0.002698 0.42339 2.62391
49 1X7D NAD 0.001718 0.42121 2.62391
50 4E5N NAD 0.0003751 0.45079 2.72727
51 2HJR APR 0.002265 0.41804 2.7439
52 5VKT NAP 0.0004096 0.421 2.76243
53 1LUA NAP 0.0006489 0.44786 2.78746
54 1OMO NAD 0.0006324 0.4372 2.79503
55 2WPF FAD 0.001517 0.47015 2.91545
56 3TWO NDP 0.0002041 0.46726 2.91545
57 2WPF WPF 0.002102 0.46506 2.91545
58 2O4C NAD 0.0006419 0.44134 2.91545
59 5UAO FAD 0.001227 0.43875 2.91545
60 4TM3 FAD 0.01125 0.41907 2.91545
61 3GDN HBX 0.01228 0.40815 2.91545
62 3GDN FAD 0.008652 0.40815 2.91545
63 4C3Y ANB 0.01027 0.40755 2.91545
64 1GQ2 NAP 0.001708 0.40264 2.91545
65 5T9E NAP 0.00007912 0.4713 2.95203
66 5T9F NAP 0.0000664 0.41969 2.95203
67 5T9F TYR 0.00006171 0.41702 2.95203
68 1Z82 NDP 0.0002732 0.43701 2.98507
69 4BVA NDP 0.0008774 0.40569 2.98507
70 2PV7 NAD 0.000007837 0.49483 3.02013
71 1GET FAD 0.002308 0.44855 3.207
72 1GET NAP 0.00247 0.44855 3.207
73 2YVF FAD 0.02911 0.42167 3.207
74 5IN4 GDP 0.04033 0.41902 3.207
75 5IN4 NAP 0.04218 0.41885 3.207
76 5IN4 6CK 0.04445 0.41745 3.207
77 3WGT FAD 0.006335 0.4174 3.207
78 3WGT QSC 0.006623 0.4174 3.207
79 2YVJ FAD 0.004438 0.41441 3.207
80 2E5V FAD 0.006456 0.41355 3.207
81 5F5N NAD 0.003492 0.40021 3.207
82 1LLU NAD 0.0003034 0.40935 3.21637
83 5AYV KPL 0.0001248 0.47604 3.23625
84 5AYV NAP 0.00003443 0.47466 3.23625
85 3ITJ FAD 0.004362 0.42605 3.25444
86 4DPL NAP 0.0002319 0.43183 3.34262
87 1WP4 NDP 0.00006966 0.45887 3.46021
88 1VQW FAD 0.001615 0.42777 3.49854
89 4BV6 FAD 0.002822 0.42682 3.49854
90 2GVC FAD 0.00175 0.42635 3.49854
91 4TR9 ASP TRP ASN 0.0113 0.41123 3.49854
92 3GFB NAD 0.001744 0.40664 3.49854
93 3WV8 ATP 0.0004061 0.41821 3.66972
94 5V4R MGT 0.01562 0.41904 3.7037
95 5FJN BE2 0.003266 0.42796 3.72807
96 5FJN FAD 0.002799 0.42796 3.72807
97 2QZZ NAP 0.0002616 0.46543 3.79009
98 2QZZ EMF 0.0002804 0.46543 3.79009
99 4RPL 3UC 0.009101 0.4226 3.79009
100 4RPL FAD 0.00976 0.41939 3.79009
101 4MIG G3F 0.006266 0.41844 3.79009
102 3NEM ATP 0.02614 0.40084 3.79009
103 1N5D NDP 0.006052 0.40185 3.81944
104 1YJQ NAP 0.0001061 0.47605 3.9604
105 5UAV TFB 0.0000479 0.4946 4.03727
106 5UAV NDP 0.0000479 0.4946 4.03727
107 1NYT NAP 0.0004572 0.43934 4.05904
108 1F06 2NP 0.0001722 0.4689 4.0625
109 1F06 NDP 0.0001722 0.4689 4.0625
110 3OJO NAD 0.0001396 0.46766 4.08163
111 1FEC FAD 0.0005815 0.46089 4.08163
112 3QVP FAD 0.001751 0.43756 4.08163
113 2JK0 ASP 0.03584 0.40391 4.30769
114 4A91 GLU 0.02756 0.40113 4.36242
115 3ICT ADP 0.0002403 0.49618 4.37318
116 4M52 FAD 0.001887 0.43519 4.37318
117 4JBI NDP 0.0006165 0.43421 4.37318
118 1PS9 FAD 0.002138 0.43189 4.37318
119 3ICS FAD 0.005734 0.41083 4.37318
120 1Y8Q ATP 0.004991 0.40395 4.37318
121 1YKF NAP 0.001191 0.40313 4.37318
122 4YCA NDP 0.00004269 0.47323 4.42177
123 3JUC PCA 0.006752 0.43957 4.57516
124 1LJ8 NAD 0.0009843 0.43644 4.66472
125 1E5Q NDP 0.000232 0.43589 4.66472
126 4ZGS NAD 0.0005017 0.43363 4.66472
127 3AYI HCI 0.003883 0.43065 4.66472
128 3AYI FAD 0.003723 0.43065 4.66472
129 4KP7 1UQ 0.002671 0.4298 4.66472
130 4KP7 NAP 0.003295 0.42959 4.66472
131 4YNU FAD 0.003127 0.42784 4.66472
132 1M2W NAD 0.001533 0.425 4.66472
133 1X87 NAD 0.001898 0.42119 4.66472
134 4YNU LGC 0.005697 0.42022 4.66472
135 4L8V NAP 0.0009636 0.43277 4.74777
136 5CAE COA 0.0006388 0.43702 4.79233
137 3H8V ATP 0.0004076 0.4129 4.79452
138 4RDH AMP 0.001747 0.44526 4.86111
139 1D4D FAD 0.002596 0.43033 4.8951
140 4OOE NDP 0.001597 0.41321 4.9505
141 1MUU NAD 0.0001574 0.45763 4.95627
142 2WET FAD 0.0007577 0.45084 4.95627
143 5BUK FAD 0.001893 0.43711 4.95627
144 4CNK FAD 0.00483 0.41394 4.95627
145 1LSS NAD 0.001392 0.43374 5
146 5L95 AMP 0.0004972 0.45692 5.01792
147 1WB4 SXX 0.01583 0.41921 5.05051
148 3KB6 NAD 0.0007221 0.42062 5.08982
149 3GGO ENO 0.00003074 0.50936 5.09554
150 3GGO NAI 0.00003074 0.50936 5.09554
151 3C1O NAP 0.00005764 0.47036 5.24781
152 1WPQ NAD 0.0004769 0.43154 5.24781
153 4J36 1HR 0.002759 0.4292 5.24781
154 4J36 FAD 0.00154 0.42862 5.24781
155 2DPY ADP 0.02903 0.40638 5.24781
156 5EB4 FAD 0.008595 0.40547 5.24781
157 1VI2 NAD 0.0006998 0.42045 5.33333
158 5BSH PRO 0.0001653 0.46672 5.41516
159 1PL6 572 0.001394 0.42906 5.53936
160 4HNN LYS 0.016 0.42186 5.53936
161 1PJS NAD 0.0002878 0.41587 5.53936
162 1PL6 NAD 0.0008424 0.4134 5.53936
163 5MQ6 NDP 0.005517 0.40216 5.53936
164 4X1B MLI 0.04677 0.40162 5.53936
165 1NPD NAD 0.0007993 0.43311 5.55556
166 4YEE 4CQ 0.01342 0.42573 5.55556
167 3A06 NDP 0.0007679 0.44228 5.58511
168 3A06 FOM 0.0008918 0.44213 5.58511
169 4GKV NAD 0.0001718 0.41738 5.65476
170 2G5C NAD 0.00003048 0.46257 5.69395
171 3KLJ FAD 0.000859 0.43897 5.71429
172 4UP3 FAD 0.002679 0.42674 5.73248
173 2HK9 ATR 0.00004734 0.53718 5.81818
174 2HK9 NAP 0.0002884 0.44144 5.81818
175 3ABI NAD 0.00005306 0.4529 5.8309
176 2BOS GLA GAL GLC NBU 0.003761 0.44972 5.88235
177 2BOS GLA GAL GLC 0.00402 0.4475 5.88235
178 1JNR FAD 0.006352 0.43315 6
179 2WC1 FMN 0.009876 0.40357 6.04396
180 2CUL FAD 0.001606 0.43036 6.12245
181 4EDF UPG 0.005601 0.4197 6.12245
182 1ZMD NAI 0.002179 0.41254 6.12245
183 1YQD NAP 0.0005092 0.40365 6.12245
184 4II2 ATP 0.002544 0.42257 6.13497
185 2CVZ NDP 0.000158 0.4514 6.22837
186 4XB2 NDP 0.0002438 0.44124 6.26866
187 4XB2 HSE 0.0007281 0.44054 6.26866
188 2VVM FAD 0.002129 0.43093 6.41399
189 1D1T NAD 0.000365 0.41346 6.41399
190 5U5G NAP 0.0000949 0.44802 6.44068
191 1YNS HPO 0.03397 0.40271 6.51341
192 2VYN NAD 0.0001895 0.43745 6.58683
193 1P0F NAP 0.0005401 0.44581 6.70554
194 1CF2 NAP 0.00000293 0.52814 6.82493
195 1DSS NAD 0.005982 0.42325 6.90691
196 1J0X NAD 0.000323 0.46864 6.99708
197 3BY9 SIN 0.02911 0.40786 6.99708
198 3L9W AMP 0.0008174 0.40483 6.99708
199 2DT5 NAD 0.00007015 0.45265 7.109
200 1CER NAD 0.0001941 0.44818 7.25076
201 1LDN NAD 0.002307 0.41884 7.27848
202 1WDK NAD 0.00004818 0.4866 7.28863
203 2FZW NAD 0.002429 0.43155 7.28863
204 2Y6Q FAD 0.00282 0.41661 7.28863
205 2Y6Q I7T 0.006316 0.41661 7.28863
206 1FWV SGA MAG FUC 0.008661 0.44085 7.46269
207 2F1K NAP 0.00000362 0.51451 7.52688
208 3JQ7 DX2 0.02608 0.41342 7.63889
209 3BMO AX4 0.02781 0.41161 7.63889
210 4CM4 4NR 0.04259 0.40098 7.63889
211 2I3G NAP 0.0002872 0.42393 7.67045
212 5FI3 NAP 0.000486 0.41847 7.84314
213 1EZ4 NAD 0.003376 0.40073 7.86164
214 4RQU NAD 0.0003845 0.4473 7.87172
215 4J56 FAD 0.001381 0.44292 7.87172
216 2GZ3 NAP 0.0025 0.43561 7.87172
217 2NAD NAD 0.00146 0.43207 7.87172
218 2YYY NAP 0.00006803 0.45292 8.16327
219 2Z3Y F2N 0.001044 0.44708 8.16327
220 2CDU FAD 0.002461 0.42391 8.16327
221 2CDU ADP 0.0001366 0.42284 8.16327
222 4D3F NAP 0.0000973 0.47844 8.45481
223 1MV8 NAD 0.0001265 0.45506 8.45481
224 2PK3 A2R 0.00474 0.41432 8.72274
225 2CDC XYP 0.003377 0.44053 8.74636
226 2CDC XYS 0.003428 0.44024 8.74636
227 2CDC NAP 0.003428 0.44024 8.74636
228 5VN0 NAI 0.001814 0.41047 9.0379
229 5H81 NAP 0.0001688 0.46845 9.2545
230 2VT3 ATP 0.0004439 0.48326 9.30233
231 5M67 3D1 0.0001891 0.48377 9.32945
232 5M67 NAD 0.0002034 0.48241 9.32945
233 5M67 ADE 0.0002775 0.47662 9.32945
234 1KYQ NAD 0.0000129 0.53763 9.48905
235 1DJN ADP 0.002259 0.41808 9.62099
236 1O94 ADP 0.002235 0.41513 9.62099
237 1ZH8 NAP 0.001362 0.41103 9.70588
238 4R5M NAP 0.00221 0.40012 10.1064
239 1P7T PYR 0.01205 0.4238 10.2041
240 2Q0L NAP 0.004084 0.42816 10.6109
241 3WFD AXO 0.03174 0.41914 10.9589
242 1M0S CIT 0.02631 0.40454 10.9589
243 1NVT NAP 0.000496 0.44144 11.1498
244 4D79 ATP 0.001161 0.4449 11.2319
245 1J49 NAD 0.0008408 0.41316 11.4114
246 5JE8 NAD 0.0002264 0.4514 11.5894
247 3Q9T FAY 0.007679 0.4045 11.6618
248 1E6E FAD 0.003978 0.41528 11.7188
249 1P77 ATR 0.0002339 0.516 11.7647
250 5GZ6 NDP 0.0007227 0.44587 11.9632
251 5GZ6 7C3 0.001175 0.42973 11.9632
252 1JAY NAP 0.000004575 0.5033 12.2642
253 3ZNN 4WL 0.01173 0.41189 12.828
254 3ZNN FAD 0.01173 0.41189 12.828
255 2DBZ NAP 0.0007285 0.4153 12.8743
256 1QO8 FAD 0.005252 0.41641 13.4111
257 1V8B NAD 0.0000863 0.48404 13.9942
258 5X20 NAD 0.0001354 0.46021 14.4231
259 1O8B ABF 0.02263 0.4079 15.0685
260 2XVE FAD 0.002365 0.44459 15.7434
261 2V3B FAD 0.003762 0.41739 16.3636
262 4JJF N2I 0.002145 0.41876 16.6181
263 4JJF FE9 0.001818 0.41876 16.6181
264 2BE5 TGT 0.03145 0.41095 17.1717
265 2F5Z FAD 0.001073 0.44657 17.1875
266 4GUT FAD 0.0005637 0.46147 18.5484
267 4HSU FAD 0.001074 0.44757 18.5484
268 5N2I NAP 0.00004194 0.46286 20.2586
269 2DC1 NAD 0.001917 0.40445 20.339
270 1I36 NAP 0.00004059 0.4943 20.4545
271 3QV1 NAD 0.0004745 0.4387 21.9512
272 2VOH CIT 0.02142 0.41912 23.0769
Pocket No.: 2; Query (leader) PDB : 4XDZ; Ligand: 40E; Similar sites found: 19
This union binding pocket(no: 2) in the query (biounit: 4xdz.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IGI GMP 0.03547 0.40952 1.99336
2 5IGI ZIT 0.03684 0.40952 1.99336
3 2OFW ADX 0.03839 0.40761 2.40385
4 2R75 01G 0.0328 0.40306 2.66272
5 4O33 3PG 0.03188 0.42387 2.91545
6 4O33 TZN 0.03188 0.42387 2.91545
7 3UIE ADX 0.01099 0.41608 3
8 3T2C 13P 0.01617 0.41987 3.207
9 2YVJ NAI 0.01894 0.40568 3.207
10 1MJH ATP 0.01059 0.42124 4.32099
11 4OAG ADP 0.007557 0.42096 4.77612
12 3MJY FMN 0.04482 0.40041 4.95627
13 3MJY IJZ 0.04482 0.40041 4.95627
14 1L6O SER LEU LYS LEU MET THR THR VAL 0.02854 0.41282 5.26316
15 4JB0 FER 0.01371 0.4129 6.12245
16 4JB0 ENO 0.01494 0.4129 6.12245
17 3N26 ARG 0.007179 0.42087 8.53659
18 5VZ0 ADP 0.008796 0.42619 9.32945
19 1JAY F42 0.00356 0.43848 12.2642
Pocket No.: 3; Query (leader) PDB : 4XDZ; Ligand: 40E; 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: 4xdz.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4XDZ; Ligand: NDP; 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: 4xdz.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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