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Receptor
PDB id Resolution Class Description Source Keywords
1T3Q 1.8 Å EC: 1.3.99.17 CRYSTAL STRUCTURE OF QUINOLINE 2-OXIDOREDUCTASE FROM PSEUDOM PUTIDA 86 PSEUDOMONAS PUTIDA QOR MOLYBDENUM MCD OXIDOREDUCTASE
Ref.: ACTIVE SITE GEOMETRY AND SUBSTRATE RECOGNITION OF T MOLYBDENUM HYDROXYLASE QUINOLINE 2-OXIDOREDUCTASE. STRUCTURE V. 12 1425 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
18563_18564_18565_18566_ B:4923;
Invalid;
none;
submit data n/a n/a n/a n/a
18716_18717_18718_18719_ E:4922;
Invalid;
none;
submit data n/a n/a n/a n/a
FAD C:4931;
F:4932;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES A:4907;
A:4908;
D:4909;
D:4910;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
GOL A:3909;
B:3902;
B:3906;
C:3907;
C:3908;
E:3901;
E:3904;
E:3905;
F:3903;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MCN B:4921;
E:4920;
Valid;
Valid;
none;
none;
submit data
696.501 C19 H22 N8 O13 P2 S2 C1=CN...
SO4 B:3100;
B:3101;
B:3102;
B:3105;
E:3103;
E:3104;
E:3106;
E:3107;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T3Q 1.8 Å EC: 1.3.99.17 CRYSTAL STRUCTURE OF QUINOLINE 2-OXIDOREDUCTASE FROM PSEUDOM PUTIDA 86 PSEUDOMONAS PUTIDA QOR MOLYBDENUM MCD OXIDOREDUCTASE
Ref.: ACTIVE SITE GEOMETRY AND SUBSTRATE RECOGNITION OF T MOLYBDENUM HYDROXYLASE QUINOLINE 2-OXIDOREDUCTASE. STRUCTURE V. 12 1425 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1T3Q - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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 1T3Q - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% 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 1T3Q - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Ligand no: 2; Ligand: MCN; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 MCN 1 1
2 CDP 0.557692 0.819277
3 HF4 0.542056 0.819277
4 CTP 0.542056 0.819277
5 C2G 0.535714 0.809524
6 CDC 0.517241 0.712766
7 CDM 0.512821 0.764045
8 7XL 0.508929 0.8
9 C5G 0.508475 0.821429
10 PCD 0.496403 0.909091
11 CXY 0.491667 0.821429
12 C5P 0.485714 0.807229
13 CAR 0.485714 0.807229
14 C 0.485714 0.807229
15 1AA 0.484127 0.857143
16 C C C C 0.442623 0.797619
17 C C 0.441667 0.807229
18 2AA 0.438849 0.737864
19 CSQ 0.426357 0.833333
20 CSV 0.426357 0.833333
21 91P 0.414286 0.873563
22 CTN 0.403846 0.722892
23 AR3 0.403846 0.722892
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T3Q; Ligand: FAD; Similar sites found with APoc: 255
This union binding pocket(no: 1) in the query (biounit: 1t3q.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4WNP 3RJ 2.78746
2 2YPI PGA 2.83401
3 5W6Y TRP 2.97619
4 2AWN ADP 2.97619
5 4O48 ASP 3.125
6 5DMZ ADP 3.28767
7 6ACS CIT 3.48837
8 3B6C SDN 3.57143
9 1UPF URF 3.57143
10 4AVV CD 3.57143
11 4YMZ 13P 3.58566
12 3NB0 G6P 3.58621
13 2JK0 ASP 3.69231
14 1MZV AMP 3.82979
15 5TED SKM 3.9823
16 2F57 23D 4.16667
17 1K3A ACP 4.16667
18 1T3D CYS 4.16667
19 1V8K ANP 4.16667
20 5T8U LPA 4.16667
21 3H4L ANP 4.16667
22 1QK3 5GP 4.29185
23 3DAK ANP 4.48276
24 1IR3 ANP 4.51389
25 3COB ADP 4.60705
26 5AHN IMP 4.70348
27 2BTM PGA 4.7619
28 4PPF FLC 4.7619
29 4JEJ 1GP 4.7619
30 1YBH P22 4.7619
31 1SJN DUP 4.7619
32 5AE2 FYC 4.86111
33 5AE2 FAD 4.86111
34 2VVG ADP 4.86111
35 1DNP MHF 4.86111
36 5CGE 51F 5.05415
37 5U97 PIT 5.13308
38 4KFU ACP 5.18868
39 1D1Q 4NP 5.20833
40 4P8K 38C 5.20833
41 4P8K FAD 5.20833
42 2BKK ADP 5.32544
43 1QDS PGA 5.35714
44 3WXL ADP 5.35714
45 2Q4W FAD 5.35714
46 2WHX ADP 5.35714
47 4FBL SPD 5.35714
48 4O6M C5P 5.35714
49 5EH0 5NW 5.35714
50 3PTG 932 5.35714
51 2OO0 PLP 5.35714
52 5GS9 ARG 5.35714
53 5JZJ AN2 5.38721
54 3P48 DUP 5.44218
55 6AR9 3L4 5.51471
56 4JE5 PLP 5.55556
57 2R42 FPS 5.56962
58 2JKY 5GP 5.6338
59 3W8X FTK 5.90278
60 3W8X FAD 5.90278
61 1HSK FAD 5.95238
62 1U6R IOM 5.95238
63 5N53 8NB 5.95238
64 1FDJ 2FP 5.95238
65 2XZ9 PYR 5.95238
66 3ITJ CIT 5.95238
67 5HTX ADP 5.95238
68 2PZE ATP 6.11354
69 6BFN DL1 6.14035
70 4AUT FAD 6.25
71 6F3G CJN 6.25
72 4PVR ASP 6.25
73 1P19 IMP 6.33484
74 4FHT DHB 6.36943
75 3A06 FOM 6.38298
76 3VY6 BGC BGC 6.38298
77 2Y7P SAL 6.42202
78 5EYW PGA 6.4257
79 5E5U MLI 6.43939
80 3IP8 B85 6.45161
81 2J5V PCA 6.54762
82 1G8S MET 6.54762
83 2PZI AXX 6.54762
84 1VBH PEP 6.54762
85 3RC3 ANP 6.54762
86 1Q19 SSC 6.59722
87 4Y8D 49J 6.59722
88 1PZM 5GP 6.63507
89 2DTJ THR 6.74157
90 4BI7 PGA 6.94444
91 1G6H ADP 7.00389
92 2PS1 ORO 7.07965
93 2AK3 AMP 7.07965
94 2PS1 PRP 7.07965
95 1JI0 ATP 7.08333
96 2I0K FAD 7.14286
97 5HR5 FLC 7.14286
98 5WC2 ADP 7.29167
99 2GUC MAN 7.37705
100 2GUD BMA 7.37705
101 2HYR BGC GLC 7.37705
102 2NUO BGC 7.37705
103 2NU5 NAG 7.37705
104 2GUD MAN 7.37705
105 2HYQ MAN MAN 7.37705
106 1XTT U5P 7.40741
107 4UX9 ANP 7.41758
108 4YDX TCE 7.46269
109 3KIF GDL 7.54717
110 2JBH 5GP 7.55556
111 1O68 KIV 7.63636
112 2FXV 5GP 7.73196
113 4P86 5GP 7.7381
114 2VO4 4NM 7.7381
115 2HY0 306 7.7381
116 5LPB ADP 7.7381
117 3KL3 GCU 7.7381
118 4GV8 DUP 7.7381
119 1BYG STU 7.91367
120 5CSS G3P 7.9646
121 3MBI HSX 7.98611
122 5A6N U7E 7.98611
123 1TRD PGH 8
124 5JBX MLI 8.04598
125 1T9D P22 8.12408
126 3UEC ALA ARG TPO LYS 8.21918
127 2MBR FAD 8.23529
128 2MBR EPU 8.23529
129 3T64 DU3 8.28729
130 5UPK ANP 8.33333
131 6AM8 TRP 8.33333
132 5M06 ADP 8.33333
133 5W7B MYR 8.51064
134 3TAO PGH 8.61423
135 6CS8 F9Y 8.92857
136 3I7S PYR 8.92857
137 4CP8 MLI 8.92857
138 5YV5 ADP 8.92857
139 1YQT ADP 8.92857
140 3GQT UFO 8.92857
141 4XDA RIB 8.92857
142 4WZ6 ATP 8.96552
143 1NE7 16G 8.99654
144 2CZL TLA 9.02778
145 5TCI MLI 9.05797
146 3ACC 5GP 9.39227
147 6C7Y ADP 9.40171
148 1LYX PGA 9.52381
149 6HKE LMR 9.52381
150 4JB1 NAP 9.70588
151 4JB1 FAD 9.70588
152 4P83 U5P 9.89011
153 1W7J ADP BEF 9.93377
154 6BYF CIT 10
155 4B2D FBP 10.0694
156 5LV1 78T 10.119
157 6EK3 OUL 10.4072
158 4PYA 2X3 10.559
159 2VN9 GVD 10.7143
160 2V7O DRN 10.7143
161 3OZG SSI 10.7143
162 2WEL K88 10.7143
163 1GVF PGH 10.7143
164 3LRE ADP 10.7143
165 2VZ6 FEF 10.7143
166 5A2Z GTP 10.7143
167 4M52 M52 10.7296
168 1NME 159 10.9589
169 6BVE PGA 11.0204
170 1F0X FAD 11.1111
171 1LNX URI 11.1111
172 1WUW TSU 11.1111
173 2VAR KDG 11.1821
174 2GQT FAD 11.194
175 2OG2 MLI 11.3095
176 3R7F CP 11.3095
177 3IWK NAD 11.332
178 2DT9 THR 11.3772
179 3G2Y GF4 11.4068
180 5CX6 CDP 11.4583
181 3B9Q MLI 11.9048
182 4U00 ADP 11.9048
183 4RHY 3QG 11.9403
184 6CI9 F3V 12.5
185 3AB4 THR 12.5
186 5C2N NAG 12.5
187 5MRH Q9Z 12.5
188 3AB4 LYS 12.5
189 6APV 3L4 12.963
190 1RVV INI 12.987
191 6AC9 ANP 13.0952
192 3ZFD ANP 13.1944
193 5GVR LMR 13.2479
194 5A04 BGC 13.6905
195 4LHD GLY 13.6905
196 4WOH 4NP 13.8554
197 3RET SAL 13.8614
198 5TG5 JW8 13.8776
199 3QDV NDG 13.986
200 4Y0X ADP 14.1333
201 4MCC 21X 14.2276
202 1VRP IOM 14.2857
203 2D2F ADP 14.2857
204 1OBD AMP 14.3791
205 6MJ7 ARG 14.5455
206 5KQG 6VX 14.6067
207 5YRI GLC GLC 14.7887
208 2UUU FAD 14.881
209 1DQN IMU 14.881
210 2UUU PL3 14.881
211 4BCM T7Z 14.9502
212 4BCN T9N 15
213 2D0O ADP 15.2
214 2QZT PLM 15.3153
215 3SLS ANP 15.4762
216 1E8G FCR 16.0714
217 1E8G FAD 16.0714
218 4EKQ NPO 16.0714
219 4IP7 FBP 16.0714
220 4YMU ATP 16.3194
221 1XXA ARG 16.6667
222 3MAG 3MA 17.2638
223 3F81 STT 17.4863
224 5VJN ADE 17.6471
225 5VJN IR8 17.6471
226 4JLS 3ZE 17.7632
227 4A59 AMP 17.8571
228 3F4F UMP 17.9641
229 1VBO MAN 18.1208
230 1L1Q 9DA 18.2796
231 2EB5 OXL 18.3521
232 6DWI HD4 18.8841
233 1SW0 PGA 19.0476
234 3N8K D1X 19.7674
235 2XN5 FUN 20
236 4RF7 ARG 20.8333
237 1O5O U5P 20.8333
238 5L8L ADP 20.8333
239 5MQW GTP 20.8333
240 5MQW ATP 20.8333
241 5G1X ADP 20.8333
242 1XMV ADP 21.4286
243 5FII PHE 21.5686
244 2WW4 ADP 22.2615
245 1HGX 5GP 23.2143
246 1QB7 ADE 23.8095
247 1PVC ILE SER GLU VAL 23.9496
248 3ZIA ADP 25.3968
249 2QQC AG2 28.3019
250 5LVP ATP 33.3333
251 1FIQ FAD 47.0238
252 1V97 FAD 47.0238
253 4YSW NAI 47.0238
254 4YSW FAD 47.0238
255 3NRZ FAD 48.1707
Pocket No.: 2; Query (leader) PDB : 1T3Q; Ligand: MCN; Similar sites found with APoc: 180
This union binding pocket(no: 2) in the query (biounit: 1t3q.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 3LL5 IP8 2.81124
3 2V2G BEZ 2.97619
4 3LA3 2FT 3.29218
5 4AVV CD 3.57143
6 1LVW TYD 3.57143
7 5F1V 3VN 3.57143
8 4LYA ATP 3.57782
9 4G7A AZM 3.62903
10 2HFK E4H 3.76176
11 4JZ8 CIT 3.78549
12 4BXF AKG 3.81944
13 1GKZ ADP 3.81944
14 6MVU K4V 4.16667
15 5C9P FUC 4.16667
16 3SI2 PBD 4.16667
17 3GJB AKG 4.16667
18 2WVZ KIF 4.16667
19 4RHE FMN 4.30622
20 1GYM MYG 4.36242
21 3IIJ ADP 4.44444
22 4F9U PBD 4.48718
23 3OQJ 3CX 4.66926
24 4DFU QUE 4.7619
25 5TSH ANP 4.7619
26 5DEQ ARA 4.7619
27 1YXM ADE 4.86111
28 2BMB PMM 4.86111
29 5N2D 8J8 4.86111
30 2JGV ADP 5.20833
31 4FBL SPD 5.35714
32 4GK9 MAN BMA MAN MAN MAN 5.35714
33 4PQG NAG 5.35714
34 1QDS PGA 5.35714
35 5HWK BEZ 5.55556
36 4MXP DB4 5.55556
37 5N2F 8HW 5.64516
38 3B6O TMP 5.66802
39 1JJ7 ADP 5.76923
40 2QPU QPU 5.90278
41 2QPU QPS 5.90278
42 1FDJ 13P 5.95238
43 6DW2 HD4 5.95238
44 4MG9 27K 5.95238
45 1M0W ANP 5.95238
46 5I7A 68Q 5.95238
47 1EYR CDP 5.95238
48 5W3Y ACO 5.96591
49 2PZE ATP 6.11354
50 5EQ8 HSO 6.13718
51 3ZZS TRP 6.15385
52 1VEM GLC GLC 6.20155
53 4CSD MFU 6.25
54 6F3G CJN 6.25
55 1WRA PC 6.25
56 5E5U MLT 6.43939
57 2J5V PCA 6.54762
58 1SBR VIB 6.54762
59 1LVG ADP 6.56566
60 2DTJ THR 6.74157
61 1GOJ ADP 6.76056
62 4BI7 PGA 6.94444
63 4KJU 1RH 6.97674
64 1Z5U CMP 7.00935
65 2AK3 AMP 7.07965
66 2PS1 ORO 7.07965
67 1ZHS NAG NAG BMA MAN MAN 7.07965
68 5MZI FYK 7.14286
69 3OBT SLB 7.14286
70 1X9I G6Q 7.14286
71 5WGG SAM 7.14286
72 1ORR CDP 7.20461
73 1JXN MFU 7.43802
74 1WOG 16D 7.54098
75 4OB6 S2T 7.62463
76 4TQK NAG 7.63547
77 6EOM ALA LYS 7.63889
78 5W75 SUC 7.63889
79 5TDF ADE 7.71605
80 1M7G AV2 7.7381
81 5OSW DIU 7.7381
82 2EFX NFA 7.7381
83 6F5W KG1 7.7381
84 5CSS G3P 7.9646
85 2AKO ADP 7.96813
86 1JGS SAL 7.97101
87 5JBX MLI 8.04598
88 4EHQ GBL 8.10811
89 1J71 THR ILE THR SER 8.33333
90 1D6Z HY1 8.33333
91 1VR0 3SL 8.33333
92 3VPD CIT 8.33333
93 4X7Q 3YR 8.33333
94 3TW1 AHN 8.43882
95 5LPG 71V 8.53659
96 2PHN GDP 8.66142
97 3G4Q MCH 8.90411
98 3BRN SRO 8.9172
99 1Y8O ADP 8.92857
100 2V0C ANZ 8.92857
101 2CDN ADP 8.95522
102 1UI0 URA 9.26829
103 4V03 ADP 9.33852
104 5ME4 HP4 9.48905
105 4MLN ODV 9.52381
106 1LYX PGA 9.52381
107 4E03 ADP 9.70874
108 1YTM ATP 9.72222
109 5IDB BMA 9.85915
110 4POO SAM 10
111 3PCJ INO 10
112 4K47 WMP 10.0694
113 1XVB BHL 10.119
114 2UZH CDP 10.303
115 3BF1 ADP 10.4167
116 4QM7 GTP 10.5263
117 5JWI ARG GLU 10.7143
118 4AG5 ADP 11.1111
119 4BQS ADP 11.3095
120 5IKI A9H 11.3095
121 4BQS K2Q 11.3095
122 2R00 OEG 11.3095
123 1ZEI CRS 11.3208
124 4DDY DN6 11.4068
125 5OCM 9RH 11.9048
126 2FSH ANP 11.9048
127 2OFW ADX 12.5
128 3AB4 THR 12.5
129 1FWV SGA MAG FUC 12.6866
130 4QAG F95 12.782
131 1UJP CIT 12.9151
132 1NFU RRP 13.0952
133 6AC9 ANP 13.0952
134 1IV2 CDP 13.1579
135 5FS0 5JC 13.2701
136 2CI5 HCS 13.3803
137 4PL9 ADP 13.6612
138 3QDY A2G GAL 13.986
139 5O3Q CMP 14.1667
140 4MCC 21X 14.2276
141 4UP4 NDG 14.2857
142 4UP4 GAL NAG 14.2857
143 2D2F ADP 14.2857
144 3PB9 1BN 14.2857
145 1DCP HBI 14.4231
146 2PEZ DAT 14.5251
147 2XKO AKG 14.6067
148 1I7M CG 14.9254
149 4BCM T7Z 14.9502
150 2YAJ 4HP 15.1163
151 2C5S AMP 15.4762
152 4EKQ NPO 16.0714
153 4YMU ARG 16.3194
154 3K8D KDO 16.6667
155 3HQP OXL 16.6667
156 5LS7 ACO 16.7883
157 4O4Z N2O 16.8831
158 1WAP TRP 17.3333
159 2RI1 GLP 17.4468
160 2QLU ADE 18.4524
161 5WXU FLC 18.4524
162 3ZZQ TRP 18.4615
163 1NU4 MLA 18.5567
164 1SW0 PGA 19.0476
165 1JJV ATP 19.4175
166 3N8K D1X 19.7674
167 1QAW TRP 20.2703
168 1JQY A32 20.3883
169 1V2F HCI 20.8333
170 1O5O U5P 20.8333
171 1WQ1 AF3 21.0843
172 1QB7 ADE 23.8095
173 5MWE TCE 25.7143
174 3RF4 FUN 36.2069
175 4RJD TFP 39.3939
176 1FIQ MTE 47.0238
177 1FIQ SAL 47.0238
178 1V97 MTE 47.0238
179 3NRZ MTE 48.1707
180 3NRZ HPA 48.1707
Pocket No.: 3; Query (leader) PDB : 1T3Q; Ligand: MCN; Similar sites found with APoc: 45
This union binding pocket(no: 3) in the query (biounit: 1t3q.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1IXE CIT 2.43056
2 2AWN ADP 2.97619
3 1F9V ADP 4.7619
4 4PJ3 ANP 4.7619
5 4PPF FLC 4.7619
6 1W1A NDG 5.05837
7 4EVQ PHB 5.33333
8 5MB4 NAG 5.35714
9 4E8C GAL 5.35714
10 1JS8 MAN MAN BMA 5.35714
11 3PTG 932 5.35714
12 3P48 DUP 5.44218
13 3K5I AIR 5.95238
14 1R0X ATP 5.95238
15 3EFS BTN 6.00858
16 3MMH SME 6.58683
17 5YJS SAL 6.59722
18 1V8B ADN 6.88935
19 4LFL TG6 7.55814
20 4NV0 MG7 7.7381
21 5A6N U7E 7.98611
22 3AIA SAM 8.05687
23 6E8I PTR 8.28402
24 4LRJ ANP 8.33333
25 4X5S AZM 8.92857
26 1XF1 CIT 9.72222
27 5A1S FLC 10.119
28 4M26 AKG 10.7143
29 4G6I RS3 10.7143
30 4IEE AGS 10.7143
31 1DKU AP2 11.1111
32 2VAR KDG 11.1821
33 2VAR KDF 11.1821
34 3KMT SAH 11.7647
35 5W99 A1V 12.2024
36 3CF6 SP1 12.5749
37 2XHK AKG 12.6126
38 4COQ SAN 12.9555
39 4CVN ADP 13.6905
40 3CV2 COA 13.8889
41 6MJ7 ARG 14.5455
42 3S6X SIA GAL BGC 15.6923
43 3DDN HPV 17.2619
44 4JLS 3ZE 17.7632
45 1G3Q ADP 23.6287
Pocket No.: 4; Query (leader) PDB : 1T3Q; Ligand: FAD; Similar sites found with APoc: 33
This union binding pocket(no: 4) in the query (biounit: 1t3q.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 4G2R H1L 4.51389
3 1O9U ADZ 6.54762
4 1IXI 2HP 6.59722
5 5YJS SAL 6.59722
6 5F33 PGH 6.88525
7 2X1L ADN 7.29167
8 1Q8Q MAN MMA 7.7381
9 1Q8S MAN MMA 7.7381
10 2WH8 II2 7.98611
11 3GD8 GOL 8.92857
12 2GNK ATP 8.92857
13 1GQ2 OXL 8.92857
14 3LN9 FLC 9.35252
15 5OFW 9TW 9.41704
16 3V1S 0LH 9.72222
17 3W2W ATP 10.119
18 1JPA ANP 10.7143
19 4DE3 DN8 11.4068
20 3NJQ NJQ 11.9171
21 4ETZ C2E 12.5
22 5XQL C2E 12.5
23 1XP8 AGS 12.5
24 1ID0 ANP 12.5
25 2BIF SIN 13.0952
26 1S9A BEZ 13.6905
27 5YRM BGC GLC 14.7887
28 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 15.2381
29 3HQP OXL 16.6667
30 1VBO MAN MAN MAN 18.1208
31 4C2W ANP 19.2308
32 2IYA UDP 20.4861
33 1B4B ARG 30.9859
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