-->
Receptor
PDB id Resolution Class Description Source Keywords
5KK4 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PLANT DEFENSIN NSD7 BOUND TO PHOSPH ACID NICOTIANA SUAVEOLENS X NICOTIANA TABACORGANISM_TAXID: 157071 DEFENSIN PHOSPHOLIPID OLIGOMER PHOSPHATIDIC ACID ANTIMICPROTEIN
Ref.: BINDING OF PHOSPHATIDIC ACID BY NSD7 MEDIATES THE F OF HELICAL DEFENSIN-LIPID OLIGOMERIC ASSEMBLIES AND PERMEABILIZATION. PROC.NATL.ACAD.SCI.USA V. 113 11202 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
44E D:103;
D:102;
C:101;
F:101;
E:102;
F:102;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
368.36 C15 H29 O8 P CCCCC...
EDO F:104;
B:102;
F:106;
D:101;
C:106;
C:105;
F:103;
A:101;
D:104;
D:105;
D:107;
D:106;
B:103;
F:105;
E:101;
C:103;
A:102;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 C:102;
A:103;
E:103;
B:105;
B:101;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ACT C:104;
A:104;
B:104;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KK4 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PLANT DEFENSIN NSD7 BOUND TO PHOSPH ACID NICOTIANA SUAVEOLENS X NICOTIANA TABACORGANISM_TAXID: 157071 DEFENSIN PHOSPHOLIPID OLIGOMER PHOSPHATIDIC ACID ANTIMICPROTEIN
Ref.: BINDING OF PHOSPHATIDIC ACID BY NSD7 MEDIATES THE F OF HELICAL DEFENSIN-LIPID OLIGOMERIC ASSEMBLIES AND PERMEABILIZATION. PROC.NATL.ACAD.SCI.USA V. 113 11202 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5KK4 - 44E C15 H29 O8 P CCCCCC(=O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4CQK - PIO C25 H49 O19 P3 CCCCCCCC(=....
2 5KK4 - 44E C15 H29 O8 P CCCCCC(=O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4CQK - PIO C25 H49 O19 P3 CCCCCCCC(=....
2 5KK4 - 44E C15 H29 O8 P CCCCCC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 44E; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 44E 1 1
2 PD7 0.88 1
3 LPP 0.846154 1
4 6PH 0.846154 1
5 7PH 0.846154 1
6 3PH 0.846154 1
7 F57 0.846154 1
8 7P9 0.830189 1
9 M7U 0.721311 1
10 D21 0.721311 0.976744
11 44G 0.683333 0.911111
12 PX8 0.672414 0.930233
13 PX2 0.672414 0.930233
14 PSF 0.66129 0.803922
15 CD4 0.609375 0.953488
16 TGL 0.603774 0.690476
17 PEF 0.6 0.788462
18 PTY 0.6 0.788462
19 8PE 0.6 0.788462
20 PEV 0.6 0.788462
21 PEH 0.6 0.788462
22 PGT 0.590909 0.911111
23 XP5 0.590909 0.727273
24 PEE 0.590909 0.773585
25 9PE 0.590909 0.788462
26 LHG 0.590909 0.911111
27 CDL 0.575758 0.863636
28 HGP 0.573529 0.727273
29 P5S 0.573529 0.803922
30 PLD 0.573529 0.727273
31 PC7 0.573529 0.727273
32 HGX 0.573529 0.727273
33 6PL 0.573529 0.727273
34 LIO 0.573529 0.727273
35 PIF 0.56338 0.857143
36 PII 0.557143 0.836735
37 CN3 0.541667 0.953488
38 PIO 0.540541 0.857143
39 IP9 0.540541 0.875
40 52N 0.540541 0.857143
41 3PE 0.536232 0.711538
42 PIZ 0.533333 0.875
43 AGA 0.528571 0.869565
44 6OU 0.527027 0.773585
45 L9Q 0.527027 0.773585
46 LOP 0.527027 0.773585
47 PCF 0.521127 0.685185
48 PC1 0.521127 0.685185
49 MC3 0.521127 0.685185
50 PGW 0.52 0.891304
51 D3D 0.52 0.891304
52 CN6 0.513889 0.953488
53 DR9 0.513158 0.891304
54 PGV 0.513158 0.891304
55 DDR 0.508475 0.697674
56 L2C 0.508475 0.697674
57 FAW 0.508475 0.697674
58 DGA 0.508475 0.697674
59 PGK 0.506494 0.854167
60 P6L 0.506494 0.891304
61 PCW 0.506494 0.714286
62 OZ2 0.5 0.891304
63 P50 0.5 0.803922
64 B7N 0.493671 0.82
65 PCK 0.493671 0.689655
66 ZPE 0.493506 0.773585
67 NKO 0.491803 0.953488
68 NKN 0.491803 0.953488
69 DGG 0.4875 0.854167
70 GP7 0.47561 0.773585
71 3PC 0.472222 0.666667
72 P3A 0.469136 0.851064
73 PEK 0.469136 0.773585
74 PIE 0.469136 0.764706
75 PSC 0.464286 0.714286
76 POV 0.4625 0.672727
77 L9R 0.4625 0.672727
78 PC5 0.457143 0.603448
79 LBR 0.454545 0.644444
80 T7X 0.436782 0.82
81 DB4 0.43662 0.795918
82 DLP 0.435294 0.672727
83 PBU 0.432432 0.795918
84 PDK 0.428571 0.683333
85 NKP 0.428571 0.931818
86 EPH 0.422222 0.773585
87 SQD 0.414634 0.609375
88 5P5 0.413333 0.795918
89 PIB 0.413333 0.795918
90 G2A 0.403509 0.659091
91 2JT 0.403509 0.659091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KK4; Ligand: 44E; Similar sites found with APoc: 335
This union binding pocket(no: 1) in the query (biounit: 5kk4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3G6K FAD None
2 3G6K POP None
3 5FIT AP2 None
4 4IPH 1FJ None
5 1FAO 4IP None
6 4DQL FAD None
7 4DQL NAP None
8 6HOY TSN None
9 6HOY AR6 None
10 1IXE COA None
11 2TPS TPS None
12 1AJ8 COA None
13 4INI AMP None
14 5XQL C2E None
15 1S7G APR None
16 1GS5 NLG None
17 1GS5 ANP None
18 2PAR TMP None
19 3PE2 E1B None
20 6G3F FUM None
21 1UNQ 4IP None
22 5L13 6ZE None
23 1RSD PSB None
24 2EV9 NAP None
25 2EV9 SKM None
26 1ZPT FAD None
27 4RJK TPP None
28 3SJK LYS PRO VAL LEU ARG THR ALA None
29 2ZRU FMN None
30 4EWH T77 None
31 2XOC ADP None
32 5MZI FAD None
33 5MZI FYK None
34 5H2U 1N1 None
35 1ST0 GTG None
36 1M0W ANP None
37 2J4K U5P None
38 2YK7 CSF None
39 2DM6 IMN None
40 3TN7 NJP None
41 5BVE 4VG None
42 5VW2 FDA None
43 5VW2 NAP None
44 1CLU DBG None
45 4NW6 2NS None
46 4FGC PQ0 None
47 3NW7 LGV None
48 3C1M ANP None
49 3MEH THP None
50 2R7K ACP None
51 2R7K AMZ None
52 2QV6 GTP None
53 3T7V SAM None
54 4UWH JXM None
55 4ITH RCM None
56 6A8H AHR AHR AHR None
57 5XVG 8FX None
58 2JAH NDP None
59 4I2D APC None
60 2CYE COA None
61 2DM6 NAP None
62 1UPA TPP None
63 1FHW I5P None
64 4WNB 4BN None
65 1BRW URA None
66 1WUB OTP None
67 1JAY F42 None
68 4B63 ORN None
69 4B63 NAP None
70 4B63 FAD None
71 2Z3Y F2N None
72 4LOO SB4 None
73 2IHT TPP None
74 2FWP ICR None
75 1E19 ADP None
76 4OGQ 2WA None
77 5O96 SAM None
78 3BW2 FMN None
79 6E2O S0L None
80 3RIY NAD None
81 4RJK TDL None
82 4QOS ADP None
83 4NON GDP None
84 4NFN 2KC None
85 2DTJ THR None
86 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO None
87 5MT9 SRO None
88 2V1O COA None
89 1VC9 ATP None
90 2AGD NAG MAN BMA None
91 2AGD UDH None
92 3LL5 IPE None
93 3LL5 ADP None
94 5W4W 9WG None
95 4JGP PYR None
96 2JAP NDP None
97 1U29 I3P None
98 2FWP CIT None
99 3X27 TRP None
100 5UAV TFB None
101 4POJ 2VP None
102 2X1L ADN None
103 3E9I XAH None
104 5C3R AKG None
105 5C3R HMU None
106 4WOP CTP None
107 3RHZ UDP None
108 1S7G NAD None
109 5OYH T99 None
110 2HK5 1BM None
111 3FYH ADP None
112 3ZW2 GLA NAG GAL FUC None
113 5UI2 EQ3 None
114 3FUU ADN None
115 6C5F 7L9 None
116 4TL6 ANP None
117 5UAV NDP None
118 4G17 0VN None
119 4PU5 ANP None
120 1IYE PGU None
121 5VCV 1N1 None
122 1GP6 DH2 None
123 1GP6 SIN None
124 1GP6 QUE None
125 4WOV 3SM None
126 3SUD SUE None
127 1R18 SAH None
128 4N8I COA None
129 3N0S ACO None
130 2WLG SOP None
131 3VPH OXM None
132 5H5J FAD None
133 2OFV 242 None
134 6CZ3 FLJ None
135 2VUT NAD None
136 5O2N NAG None
137 2AGC DAO None
138 4KS7 X4Z None
139 3WDM ADN None
140 4XJC TTP None
141 5ZQY AR6 None
142 3K0T BGC None
143 5JGA 6KC None
144 1SQL GUN None
145 3KAL ADP None
146 2FP2 TSA None
147 3BL7 DD1 None
148 5IBP ACE ASP GLU VAL ASP 0QE None
149 4GA6 AMP None
150 2WH8 II2 None
151 2GVJ DGB None
152 1FHX 4IP None
153 2IHU TP9 None
154 3D2Y AH0 ALA FGA LYS None
155 2WAT COA None
156 2CWH PYC None
157 2CWH NDP None
158 1U1W 3HA None
159 1NFQ NAI None
160 1WUR 8DG None
161 4CS4 AXZ None
162 1TMM HHR None
163 1TMM APC None
164 4CS4 ANP None
165 2F59 INI None
166 1G2N EPH None
167 1NFS DED None
168 4BHN BH9 None
169 3NBC LAT None
170 3R7F CP None
171 5MJA 7O3 None
172 1A8R GTP None
173 5T0K SAM None
174 6B5G CQY None
175 6B5G NAD None
176 5BV3 M7G None
177 5KL0 G16 None
178 2B7N NTM None
179 3GE7 AFQ 4.16667
180 3OZV ECN 4.16667
181 3OZV FAD 4.16667
182 4ZCC NAI 4.16667
183 1VLH PNS 4.16667
184 4ONA UW1 4.16667
185 4U9U FAD 4.16667
186 1LZR NAG NAG NAG NAG 4.16667
187 5HES 032 4.16667
188 3R5J ACE ALA ASP VAL ALA ASA 4.16667
189 3WV1 WHH 4.16667
190 5XLY C2E 4.16667
191 4LH7 1X8 4.16667
192 4IEN GDP 4.16667
193 4BTV RB3 4.16667
194 5AVF TAU 4.16667
195 4IEN COA 4.16667
196 1MV8 GDX 4.16667
197 4OPC PGT 6.25
198 5USZ SKE 6.25
199 3NK7 SAM 6.25
200 4ZS4 ATP 6.25
201 3P7N FMN 6.25
202 4NJH SAM 6.25
203 4NJH 2K8 6.25
204 1G1T SIA GAL MAG FUC 6.25
205 3TPV ADE 6.25
206 1QIN GIP 6.25
207 1FQJ ALF 6.25
208 4I9B NAD 6.25
209 4GJ3 0XP 6.25
210 6FCH PRP 6.25
211 6C1S EFV 8.33333
212 4IE6 UN9 8.33333
213 5GXU FAD 8.33333
214 5BO9 SIA GAL NGS 8.33333
215 3QO8 SSA 8.33333
216 5I35 ANP 8.33333
217 5UCD NAP 8.33333
218 4I5I NAD 8.33333
219 2QHD DAO 8.33333
220 3AB4 THR 8.33333
221 5I60 67W 8.33333
222 6BSW CE6 8.33333
223 6BSW UDP 8.33333
224 1PI5 SM2 8.33333
225 2WQP WQP 8.33333
226 1Z41 FMN 8.33333
227 1MJH ATP 8.33333
228 3BZ3 YAM 10.4167
229 1YBH P22 10.4167
230 4Z87 GDP 10.4167
231 3FGC FMN 10.4167
232 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 10.4167
233 1FND FAD 10.4167
234 1FND A2P 10.4167
235 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 10.4167
236 1QFY NAP 10.4167
237 1QFY FAD 10.4167
238 5L2M 6ZY 10.4167
239 5NII FAD 10.4167
240 3UA1 08Y 10.4167
241 3GRU AMP 10.4167
242 5TT5 NAD 10.4167
243 4KYQ FLC 10.4167
244 4O1P ANP 10.4167
245 2HFP NSI 10.4167
246 5F3I 5UJ 10.4167
247 1F06 2NP 10.4167
248 1F06 NDP 10.4167
249 2PRG BRL 10.4167
250 4AVB CMP 10.4167
251 2QFY AKG 10.4167
252 4B0T ADP 10.4167
253 1RQJ RIS 10.4167
254 4J75 TYM 10.4167
255 2X24 X24 10.4167
256 2RC5 FAD 12.5
257 1N0U SO1 12.5
258 2WOE AR6 12.5
259 5WA9 9ZD 12.5
260 1JG9 GLC 12.5
261 5A3T MMK 12.5
262 4F4P 0SB 12.5
263 5RHN 8BR 12.5
264 4ANP 3QI 12.5
265 1AV5 AP2 12.5
266 4O4K 2PK 12.5
267 2PTR 2SA 12.5
268 6A5K SAM 12.5
269 1JYQ MAZ PTR PTM ASN 12.5
270 2WME NAP 12.5
271 3SWC SAH 12.5
272 2RFI SAH 12.5
273 5TUZ 7L6 12.5
274 5TUZ SAM 12.5
275 3HNA SAH 12.5
276 2Y6P CTP 12.5
277 6EZ6 C5Z 14.5833
278 1T9D 1MM 14.5833
279 1T9D PYD 14.5833
280 1T9D FAD 14.5833
281 5WKC AUJ 14.5833
282 1T9D P25 14.5833
283 5WKC TP9 14.5833
284 5AE9 OKO 14.5833
285 3VOT ADP 14.5833
286 2KCE D16 14.5833
287 5TO8 7FM 14.5833
288 5KBZ 3B2 14.5833
289 1K7L 544 14.5833
290 2Q4H AMP 14.5833
291 2Z48 NGA 14.5833
292 4U0I 0LI 14.5833
293 3H0L ADP 14.5833
294 5OCS FMN 14.5833
295 3UG4 AHR 16.6667
296 5FI4 5XV 16.6667
297 5J6D 6H5 16.6667
298 5UR1 YY9 16.6667
299 1GAW FAD 16.6667
300 4G1V FAD 16.6667
301 3TWD GOB 16.6667
302 6FL8 ADP 16.6667
303 6FL8 TIY 16.6667
304 5L01 6Z4 16.6667
305 3UDZ ADP 16.6667
306 3HL4 CDC 16.6667
307 2RGH FAD 16.6667
308 3UYK 0CX 16.6667
309 1M6P M6P 16.6667
310 1OBD ATP 18.75
311 3AKK ADP 18.75
312 5NKN LOC 18.75
313 1CS4 GSP 18.75
314 1JS3 PLP 142 18.75
315 4KXQ APR 18.75
316 4EN4 GT1 18.75
317 4EN4 ATP 18.75
318 4EN4 GT0 18.75
319 2WJG GDP 18.75
320 1O6B ADP 18.75
321 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 18.75
322 4YNU LGC 20.8333
323 1A59 COA 20.8333
324 4G31 0WH 20.8333
325 3WBF NAP 20.8333
326 3WBF API 20.8333
327 2H8H H8H 20.8333
328 4MZQ 1VU 22.9167
329 1CSI OAA 25
330 1CSI CMX 25
331 3VRY B43 25
332 3BP1 GUN 27.0833
333 1OPK P16 29.1667
334 1EU1 MGD 29.1667
335 1O44 852 31.25
Pocket No.: 2; Query (leader) PDB : 5KK4; Ligand: 44E; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 5kk4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1I NAD None
2 4ZGS NAD None
3 2Y5D NAP None
4 3EMY IVA VAL VAL STA ALA STA None
5 1G27 BB1 None
6 4ER2 IVA VAL VAL STA ALA STA None
7 2J5V RGP None
8 6EQS BV8 None
9 1J49 NAD None
10 4MTI 2DX None
11 4IS0 GDS 4.16667
12 5UY8 8UM 10.4167
13 5UY8 AMZ 10.4167
14 1OZ0 MS1 10.4167
15 2FJK 13P 10.4167
16 4DR9 BB2 10.4167
17 4AR8 IP8 GLY PRO ALA 14.5833
18 3C56 PH4 14.5833
19 3N9R TD3 14.5833
20 5DY5 5GR 14.5833
21 1S17 GNR 14.5833
22 4IVG ANP 14.5833
23 5DJH AMP 16.6667
24 3GAY P6T 16.6667
25 2QRK AMP 18.75
26 4JB0 ENO 18.75
27 1F5N GNP 22.9167
Pocket No.: 3; Query (leader) PDB : 5KK4; Ligand: 44E; Similar sites found with APoc: 142
This union binding pocket(no: 3) in the query (biounit: 5kk4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 6BQ6 TER None
2 3VX3 ADP None
3 4WB7 ATP None
4 5C03 AGS None
5 3IDB ANP None
6 2QEN ADP None
7 3DGY 2GP None
8 4WB6 ATP None
9 6BJ0 G6P None
10 3G5D 1N1 None
11 1JG3 ADN None
12 3FHI ANP None
13 1K3A ACP None
14 1YQZ FAD None
15 2GU8 796 None
16 1S1D GP2 None
17 1R2Q GNP None
18 4CC6 L5Y None
19 2BW7 APC None
20 2BW7 ECS None
21 2F5Z FAD None
22 3HAV ATP None
23 5IUW IAC None
24 5EYK 5U5 None
25 2FTB OLA None
26 5DEY 59T None
27 4NZ4 NDG None
28 3OJI PYV None
29 1Z2P ACP None
30 1Z2P I3S None
31 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY None
32 5COU ATP None
33 2J7T 274 None
34 1EZ0 NAP None
35 4IZC 1GZ None
36 1PN4 HDC None
37 4B4D FAD None
38 1Z0N BCD None
39 4PO2 ASN ARG LEU LEU LEU THR GLY None
40 3VPC ADP None
41 6FCX FAD None
42 2FB3 5AD None
43 2FB3 MET None
44 5IUW NAD None
45 3RNM FAD None
46 4YEF 4CQ None
47 2A5F GTP None
48 5YF9 NIO None
49 4HSE ADP None
50 5OES ADP None
51 1YQC GLV None
52 1ION ADP None
53 1U00 GLU LEU PRO PRO VAL LYS ILE HIS CYS None
54 5M06 ADP None
55 2VQD AP2 4.16667
56 4C2X NHW 4.16667
57 2C1P FNZ 4.16667
58 3P2H NOO 4.16667
59 2NX1 PEP 4.16667
60 2NX1 RP5 4.16667
61 4HVA 4HV 4.16667
62 4ZCC FAD 4.16667
63 4EZW ASN ARG LEU LEU LEU THR GLY 4.16667
64 1MEX RAC 4.16667
65 2VPQ ANP 4.16667
66 2WSI FAD 6.25
67 3RS8 ALA TRP LEU PHE GLU ALA 6.25
68 3TDC 0EU 6.25
69 1NY5 ADP 6.25
70 2IMW DDS 6.25
71 3NYC FAD 6.25
72 3NYC IAR 6.25
73 5BSH PRO 6.25
74 2PYW ADP 6.25
75 2R3A SAM 6.25
76 2E56 MYR 6.25
77 5YK1 ANP 8.33333
78 3VSV XYS 8.33333
79 6GU6 1QK 8.33333
80 4X9M FAD 8.33333
81 1Z48 FMN 8.33333
82 3QBT GNP 8.33333
83 3RFA SAM 8.33333
84 3C88 ARG ARG GLY CYS NH2 8.33333
85 1X9D SMD 8.33333
86 3H0A D30 10.4167
87 3G9E RO7 10.4167
88 2P4Y C03 10.4167
89 1EHI ADP 10.4167
90 3C6K SPD 10.4167
91 1R6B ADP 10.4167
92 4HEE 14R 10.4167
93 3C6K MTA 10.4167
94 5H4S RAM 10.4167
95 4YZC STU 10.4167
96 2QF7 AGS 12.5
97 5GVL PLG 12.5
98 5GVL GI8 12.5
99 1MWH GTG 12.5
100 1TOX NAD 12.5
101 3ORQ ADP 12.5
102 3ZQ6 ADP ALF 14.5833
103 2PT9 2MH 14.5833
104 2GJ5 VD3 14.5833
105 2Q7D ANP 14.5833
106 3KDU NKS 14.5833
107 2NPA MMB 14.5833
108 3FEI CTM 14.5833
109 1UPT GTP 14.5833
110 6GQM F8H 14.5833
111 2O07 SPD 14.5833
112 4L9I 8PR 14.5833
113 1K3T BRZ 14.5833
114 2Z49 AMG 14.5833
115 2O07 MTA 14.5833
116 2I7C AAT 14.5833
117 1Z6T ADP 16.6667
118 5LXM ADP 16.6667
119 5G1X ADP 16.6667
120 5N9T 8QQ 18.75
121 1JQN DCO 18.75
122 2QK4 ATP 18.75
123 4K39 SAM 20.8333
124 2B9W FAD 20.8333
125 4K38 SAM 20.8333
126 2DKH 3HB 20.8333
127 4K37 SAM 20.8333
128 2DKH FAD 20.8333
129 3G5N PB2 20.8333
130 3FWY ADP 20.8333
131 3VHE 42Q 22.9167
132 4X3R 686 22.9167
133 4ASE AV9 22.9167
134 1XJD STU 25
135 3RZ3 U94 27.0833
136 4CSV STI 27.0833
137 4J0M BLD 27.0833
138 4TWP AXI 29.1667
139 4I6H 1C8 29.1667
140 2RGO FAD 33.3333
141 2WEI VGG 35.4167
142 2X2M X2M 39.5833
Pocket No.: 4; Query (leader) PDB : 5KK4; Ligand: 44E; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5kk4.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5KK4; Ligand: 44E; Similar sites found with APoc: 25
This union binding pocket(no: 5) in the query (biounit: 5kk4.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1H82 FAD None
2 1H82 GZZ None
3 3F5O UOC COA None
4 4U60 SIA None
5 3BBH SFG None
6 4U60 SIA GAL NGA None
7 3GNE FLC None
8 3BBD SAH None
9 5JIC ADP None
10 4CNG SAH None
11 4H2D FMN None
12 1Z4O GL1 None
13 4X7G 3Y8 4.16667
14 3I3X U22 4.16667
15 5B4B LP5 8.33333
16 2I80 G1L 10.4167
17 4YC0 5OF 10.4167
18 4RQU NAD 10.4167
19 6B3V ANP 12.5
20 3ATY FMN 12.5
21 1AQU A3P 14.5833
22 1J39 UPG 14.5833
23 1D1T NAD 16.6667
24 1JH7 UVC 20.8333
25 5HW4 SAM 29.1667
Pocket No.: 6; Query (leader) PDB : 5KK4; Ligand: 44E; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 5kk4.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3APT FAD None
2 5X30 HCS None
3 5N6C NAD 10.4167
4 4E5N NAD 12.5
5 3BAZ NAP 14.5833
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