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Receptor
PDB id Resolution Class Description Source Keywords
1TLL 2.3 Å EC: 1.14.13.39 CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION. RATTUS NORVEGICUS NITRIC-OXIDE SYNTHASE REDUCTASE MODULE FMN FAD NADP+ OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR ISOZYME-SPECIFIC REGULATION OF ELECTRON TRANSFER IN NITRIC-OXIDE SYNTHASE J.BIOL.CHEM. V. 279 37918 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1452;
B:2452;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FMN A:1451;
B:2451;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
NAP A:1453;
B:2453;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
SO3 A:1500;
B:2500;
Invalid;
Invalid;
none;
none;
submit data
80.063 O3 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TLL 2.3 Å EC: 1.14.13.39 CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION. RATTUS NORVEGICUS NITRIC-OXIDE SYNTHASE REDUCTASE MODULE FMN FAD NADP+ OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR ISOZYME-SPECIFIC REGULATION OF ELECTRON TRANSFER IN NITRIC-OXIDE SYNTHASE J.BIOL.CHEM. V. 279 37918 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1TLL - FMN C17 H21 N4 O9 P 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 7 families.
1 1TLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DQL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1F20 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1TLL - FMN C17 H21 N4 O9 P 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: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Ligand no: 3; Ligand: NAP; Similar ligands found: 123
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 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TLL; Ligand: NAP; Similar sites found with APoc: 75
This union binding pocket(no: 1) in the query (biounit: 1tll.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5EXK MET 1.20846
2 2WPB ZZI 1.64474
3 5J32 IPM 1.73697
4 4RKC PMP 1.75879
5 2WET TRP 1.95695
6 4BWL MN9 1.97368
7 5YW5 ADE 2.23464
8 1M26 GAL A2G 3.00752
9 6DND PLP 3.16302
10 1IZC PYR 3.24484
11 5YJS SAL 3.33333
12 4YRY NAD 3.4188
13 4UP4 NDG 3.49127
14 2A1X AKG 3.57143
15 1OFL NGK GCD 3.7422
16 5KZD RCJ 3.75427
17 4KRG OPE 3.86266
18 5OFW 9TW 4.03587
19 4WB6 ATP 4.28571
20 1DMY AZM 4.43548
21 1USF NAP 4.49438
22 5N53 8NB 4.61538
23 6BYF CIT 4.70588
24 1U6R IOM 5
25 5HWK BEZ 5.41667
26 3EJ0 11X 5.61225
27 5CGE 51F 5.77617
28 3PA8 621 6.29921
29 4URF 1PS 6.45161
30 1RJW ETF 7.07965
31 3VOZ 04A 7.30159
32 2IDV M7G 7.34463
33 2BD0 BIO 7.78689
34 1EJH M7G 7.89474
35 5NNT DPV 8.10811
36 5W8X UDP 8.11518
37 3QIN P1Y 8.66667
38 1KUK PCA LYS TRP 8.86699
39 3QDY CBS 9.09091
40 3QDV NDG 9.09091
41 3QDW NDG 9.09091
42 3QDX CBS 9.09091
43 2WMC MGP 9.55056
44 3HY2 ATP 9.70874
45 2D5X L35 13.6986
46 3W2E NAD 16.6052
47 3W2E FAD 16.6052
48 4NFE BEN 16.8776
49 4USI AKG 16.8831
50 1PVC ILE SER GLU VAL 17.6471
51 2VNI FAD 19.8529
52 2VNI A2P 19.8529
53 3IWD M2T 20.5882
54 3CRZ NAP 21.4008
55 1N13 AG2 23.0089
56 2QQC AG2 23.2143
57 2QQD AG2 23.2143
58 2XIG CIT 24.6667
59 1WZ1 DNS 28.4553
60 5VW2 NAP 28.481
61 5VW2 FDA 28.481
62 1QFY NAP 29.8701
63 1QFY FAD 29.8701
64 3JQQ A2P 31.0127
65 2XNJ NAP 32.3308
66 1FND A2P 32.4841
67 1FND FAD 32.4841
68 2BSA NAP 32.6733
69 2BSA FAD 32.6733
70 2QTZ NAP 38.0334
71 3QFS NAP 43.2314
72 3QFS FAD 43.2314
73 5FA6 NAP 49.1909
74 5FA6 FMN 49.1909
75 5FA6 FAD 49.1909
Pocket No.: 2; Query (leader) PDB : 1TLL; Ligand: FMN; Similar sites found with APoc: 159
This union binding pocket(no: 2) in the query (biounit: 1tll.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4KCT FDP 1.002
2 1CT9 GLN 1.08499
3 4B2D FBP 1.09489
4 5HV7 RBL 1.14679
5 3RC3 ANP 1.32939
6 4LYA ATP 1.43113
7 4X1B MLI 1.47275
8 4AMV F6R 1.47783
9 4OFJ HIS 1.47992
10 4IP7 FBP 1.65746
11 5LMC FMN 1.67015
12 2AOU CQA 1.71233
13 2VVG ADP 1.71429
14 5A7V MAN 1.80412
15 5FAW CHT 1.88953
16 3PIJ FRU 1.90114
17 2IID PHE 2.00803
18 2IID FAD 2.00803
19 1LYX PGA 2.01613
20 1D6Z HY1 2.03488
21 2VGK REZ 2.04499
22 1RYO OXL 2.14067
23 4P83 U5P 2.1978
24 2WHX ADP 2.26537
25 5TS5 FAD 2.27273
26 4PPF FLC 2.28571
27 3DC4 ADP 2.32558
28 1RRC ADP 2.32558
29 2ZJ3 G6P 2.4
30 4AVB CMP 2.4024
31 2IZ1 ATR 2.74262
32 4WZ6 ATP 2.75862
33 1BG2 ADP 2.76923
34 1T5B FMN 2.98507
35 2OQ5 BEN 3.01724
36 5T8U LPA 3.05556
37 2O2C G6Q 3.09951
38 1A0J BEN 3.13901
39 1KOJ PAN 3.2316
40 2Y65 ADP 3.28767
41 2NZ2 ASP 3.38983
42 4R81 FMN 3.39806
43 2OHH FMN 3.46535
44 2FCR FMN 3.48837
45 2PZE ATP 3.49345
46 3WCS MAN NAG 3.54331
47 3WCS MAN NAG GAL 3.54331
48 4WOH 4NP 3.61446
49 4B9E FAH 3.65448
50 3LRE ADP 3.66197
51 4PTZ FMN 3.66492
52 1MAI I3P 3.81679
53 4L8F MTX 3.84615
54 1L5Y BEF 3.87097
55 5K9B FMN 3.88889
56 3QPB R1P 3.90071
57 3FGZ BEF 3.90625
58 5A0U CHT 3.92442
59 1E5D FMN 3.9801
60 4YQE FMN 4.06091
61 4YQE PLQ 4.06091
62 1X9I G6Q 4.06977
63 1MOQ GLP 4.07609
64 2Q9U FMN 4.10628
65 5WHT SIA 4.34783
66 5VNF VAL THR SER VAL VAL 4.4586
67 3GUZ PAF 4.54545
68 3BJE R1P 4.58453
69 1M6P M6P 4.60526
70 4JLS 3ZE 4.60526
71 3HQP FDP 4.60922
72 1JJ7 ADP 4.61538
73 6BYF CIT 4.70588
74 2AWN ADP 4.72441
75 1M1B SPV 4.74576
76 6GPC ARG 4.7619
77 4F8L AES 4.82759
78 3AIH BMA MAN MAN 4.83871
79 2CXS F6P 4.8474
80 1TE2 PGA 4.86726
81 4P86 5GP 4.91803
82 5JVB 2PO 5
83 3LN9 FLC 5.03597
84 4Z7X 3CX 5.04202
85 4N82 FMN 5.05618
86 2POC BG6 5.17711
87 2Z9C FMN 5.5
88 2Z9C DTC 5.5
89 1QH9 LAC 5.60345
90 4IGH ORO 5.64516
91 4IGH FMN 5.64516
92 4IGH 1EA 5.64516
93 2J0B UDP 5.71429
94 4IF4 BEF 5.76923
95 3RGQ 5P5 5.76923
96 5D63 FUC GLA GLA 5.80205
97 5O2J 2PO 5.86081
98 2IMG MLT 5.96026
99 3FXU TSU 6.22951
100 3PA8 621 6.29921
101 1T5C ADP 6.30372
102 4DE2 DN3 6.46388
103 4N65 FMN 6.60377
104 2O66 FLC 6.66667
105 2BDG PBZ 7.17489
106 4OWK NGA 7.24638
107 4U00 ADP 7.37705
108 1AG9 FMN 7.42857
109 2OG7 AHB 7.56302
110 5TP0 BRN 7.58929
111 1T10 F6P 7.70349
112 5LV1 78T 7.85714
113 4LTN NAI 8.12183
114 4LTN FMN 8.12183
115 5XG5 A2G 8.27586
116 5LUB 3Y7 8.39695
117 5V8E CIT 8.41424
118 3KDM TES 8.44444
119 3GFS FMN 8.62069
120 1CZR FMN 8.87574
121 3N39 FMN 9.15033
122 2VMG MBG 9.55414
123 4C0X AQN 9.85222
124 4C0X FMN 9.85222
125 1G6H ADP 10.1167
126 5F90 GLA GAL 10.2564
127 5F90 GLA GAL BGC 5VQ 10.2564
128 3S6X SIA GAL BGC 10.4615
129 1VHW ADN 11.0672
130 1OBV FMN 11.8343
131 6EBQ FMN 11.875
132 1T0I FMN 12.0419
133 2HK1 FUD 12.945
134 2BES RES 13.3721
135 5LJI FMN 14.1892
136 6FRN FMN 14.6341
137 2KIN ADP 15.126
138 1RLJ FMN 18.705
139 6FSG FMN 19.0476
140 5VEG FMN 19.1011
141 2WC1 FMN 19.7802
142 5NUL FMN 20.2899
143 3IWD M2T 20.5882
144 4HEQ FMN 21.9178
145 4BMO FMN 23.5294
146 3KAP FMN 23.8095
147 4XQM MAN 24.4681
148 1AKV FMN 24.4898
149 3F6R FMN 25.6757
150 6GAQ FMN 40.2597
151 1BVY FMN 40.3141
152 4OXX FMN 45.0617
153 4H2D FMN 46.6667
154 3FJO FMN 46.7818
155 5GXU FMN 47.8125
156 1B1C FMN 48.0663
157 5FA6 NAP 49.1909
158 5FA6 FMN 49.1909
159 5FA6 FAD 49.1909
Pocket No.: 3; Query (leader) PDB : 1TLL; Ligand: FAD; Similar sites found with APoc: 117
This union binding pocket(no: 3) in the query (biounit: 1tll.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZGS NAD 1.5544
2 1Q3Q ANP 1.64234
3 2B9W FAD 2.12264
4 3RUV ANP 2.20994
5 2VWT PYR 2.24719
6 1VJ7 GPX 2.29008
7 2CND FAD 2.59259
8 4NRT 2NG 2.6616
9 2EIX FAD 2.88066
10 5WS9 ATP 2.94737
11 1DKU AP2 3.15457
12 5GZZ GSH 3.21101
13 5JCA FAD 3.37553
14 4YRY NAD 3.4188
15 4YRY FAD 3.4188
16 4G1V FAD 3.50877
17 4WOH 4NP 3.61446
18 2OG2 MLI 3.62117
19 4K6B GLU 3.72671
20 5VKM GAL SIA 3.77907
21 3A3B RBF 4.21053
22 3A3B FMN 4.21053
23 3B9Q MLI 4.30464
24 5WHT SIA GAL 4.34783
25 5WHT SIA GAL GLC 4.34783
26 5WHT SIA 4.34783
27 1USF NAP 4.49438
28 1USF FMN 4.49438
29 3BMN AX3 4.51389
30 5OGX FAD 4.7619
31 5YLY FAD 4.79452
32 1JOC ITP 4.8
33 2PIA FMN 4.98442
34 1KQR MNA 5.02793
35 6GEH FAD 5.07812
36 3I7V B4P 5.22388
37 1J49 NAD 5.40541
38 4YHB FAD 5.49451
39 2VNO GAL GAL FUC 5.55556
40 2P3I MNA 5.59006
41 1DCP HBI 5.76923
42 5D63 FUC GAL GLA 5.80205
43 1KZL CRM 6.73077
44 4G6I RS3 7.14286
45 4RHS SIA SIA GAL 7.37705
46 1FWV SGA MAG FUC 7.46269
47 1NE7 16G 7.61246
48 4QVB F42 8.16327
49 4LO6 SIA GAL 8.94737
50 3QDV NDG 9.09091
51 3QDX CBS 9.09091
52 3QDY CBS 9.09091
53 3QDW NDG 9.09091
54 4B4D FAD 9.16031
55 4DS0 A2G GAL NAG FUC 9.81595
56 3CB0 FMN 9.82659
57 1EP2 FAD 9.96169
58 5Z20 NAI 10.1449
59 5E6O TRP GLU GLU LEU 10.1695
60 4ZDM GLY 10.3448
61 3FIU POP 10.4418
62 4ONT SIA GAL BGC 11.3565
63 1A8P FAD 14.7287
64 3OZV FAD 14.8883
65 3OZV ECN 14.8883
66 4WQM FAD 15.3374
67 1QX4 FAD 15.6934
68 3ZIA ADP 15.873
69 4HMT NNV 16
70 4HMT FMN 16
71 3UEC ALA ARG TPO LYS 16.4384
72 3W2E FAD 16.6052
73 3W2E NAD 16.6052
74 4F07 FAD 16.8421
75 3ZOD FMN 17.2775
76 3ZOD HQE 17.2775
77 5O0X FAD 17.5258
78 1PVC ILE SER GLU VAL 17.6471
79 1KRH FAD 18.6391
80 1T9M FMN 19.1589
81 4EOY ASN ASP TRP LEU LEU PRO SER TYR 19.5312
82 2VNI A2P 19.8529
83 2VNI FAD 19.8529
84 3CRZ FAD 21.4008
85 3CRZ NAP 21.4008
86 1N13 AG2 23.0089
87 2VOH CIT 23.0769
88 2QQC AG2 23.2143
89 5VW2 NAP 28.481
90 5VW2 FDA 28.481
91 3VO1 FAD 29.2994
92 5H5J FAD 29.7735
93 1QFY FAD 29.8701
94 1QFY NAP 29.8701
95 1GAW FAD 30.8917
96 3JQQ A2P 31.0127
97 3JQQ FAD 31.0127
98 3MHP FAD 31.0811
99 4U9U FAD 31.3167
100 2RC5 FAD 31.5287
101 1SM4 FAD 31.7568
102 2XNJ NAP 32.3308
103 2XNJ FAD 32.3308
104 1FND A2P 32.4841
105 1FND FAD 32.4841
106 2BSA NAP 32.6733
107 2BSA FAD 32.6733
108 1EWY FAD 35.9736
109 2QTZ NAP 38.0334
110 2QTZ FAD 38.0334
111 3QFS FAD 43.2314
112 3QFS NAP 43.2314
113 3FJO FAD 46.7818
114 5GXU FAD 47.8125
115 5FA6 FAD 49.1909
116 5FA6 FMN 49.1909
117 5FA6 NAP 49.1909
Pocket No.: 4; Query (leader) PDB : 1TLL; Ligand: FMN; Similar sites found with APoc: 61
This union binding pocket(no: 4) in the query (biounit: 1tll.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2QLU ADE 1.59236
2 4YMJ 4EJ 1.64474
3 1GOJ ADP 1.69014
4 5W6Y TRP 1.89873
5 5AO7 AH0 NAG 1.90476
6 3VC1 GST 1.92308
7 1REO FAD 2.26337
8 2Z49 AMG 2.31481
9 3THR C2F 2.38908
10 6AR9 3L4 2.57353
11 3IO3 ADP 2.58621
12 3ESS 18N 2.6087
13 3L6C MLI 2.65487
14 5XDR ADP 2.75362
15 5AHM IMP 2.76163
16 2CBZ ATP 2.95359
17 3G5S GSH 3.386
18 2NZ2 CIR 3.38983
19 3QH2 3NM 3.61991
20 4UXU MLK 3.66972
21 3I9U DTU 3.80228
22 4CUB GAL NAG 3.82514
23 3VPD BUA 3.91459
24 6IS0 M7G 4.23387
25 2F6U CIT 4.2735
26 5GVR LMR 4.2735
27 4Y8D 49J 4.28571
28 3R51 MMA 4.375
29 3B5J 12D 4.52675
30 4YMU ATP 4.54545
31 5DQY BEZ 4.7619
32 1DQN IMU 4.78261
33 2WZF BGC 4.79651
34 3PUN FUC GAL NDG FUC 5.06329
35 3L6R MLI 5.20231
36 2HY0 306 5.2795
37 6AM8 TRP 5.30303
38 6FOG OXL 5.35714
39 1O5O U5P 5.42986
40 1HGX 5GP 5.46448
41 5CSS G3P 5.75221
42 1PVN MZP 6.38298
43 4DN8 BMA 6.41026
44 3T7S SAM 7.08955
45 4G6I RS3 7.14286
46 4RHS SIA SIA GAL 7.37705
47 3OZG SSI 8.8
48 5YRI GLC GLC 9.15493
49 3WY9 GDP 9.375
50 4KFU ACP 9.43396
51 1LOJ URI 10.3448
52 4XJ7 ADN 10.8614
53 5E5U MLI 11.0553
54 3L4N GSH 11.811
55 3F81 STT 12.5683
56 2ZFZ ARG 12.6582
57 5OVK NDP 13.6719
58 5X2N ALA 13.8249
59 5C2N NAG 16.6667
60 6BR7 BEF 26.3158
61 3JQQ A2P 31.0127
Pocket No.: 5; Query (leader) PDB : 1TLL; Ligand: NAP; Similar sites found with APoc: 19
This union binding pocket(no: 5) in the query (biounit: 1tll.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4B2D SER 1.09489
2 5OPM DTP 1.46444
3 4JP3 CIT 2.09205
4 2IF8 ADP 2.75482
5 2D2F ADP 2.90698
6 6DW2 HD4 2.95359
7 4XDA RIB 3.05233
8 4Z2S NAG 3.52113
9 4Z2S NDG 3.52113
10 1A5Z FBP 4.70219
11 2W5P CL8 5.36913
12 2ZC0 PMP 5.65111
13 3NZ1 3NY 6.13027
14 2NZ5 226 6.77966
15 1W8S FBP 8.74525
16 1LH0 ORO 8.92019
17 1Y2W NAG 10.5634
18 2OFE NAG 18.3099
19 2OFD NGA 18.3099
Pocket No.: 6; Query (leader) PDB : 1TLL; Ligand: FAD; Similar sites found with APoc: 13
This union binding pocket(no: 6) in the query (biounit: 1tll.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5HV7 RBL 1.14679
2 2PL3 ADP 2.9661
3 3BY9 SIN 3.46154
4 1US2 XYP XYP XYP XYP 4.36047
5 2ZJ5 ADP 4.79651
6 4Z7X 3CX 5.04202
7 2R5A MLZ 5.28302
8 2JDR L20 7.89474
9 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 7.89474
10 3KDM TES 8.44444
11 3RK0 AMP 13.9241
12 6FHQ DE5 15.5172
13 1J6W MET 27.4286
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