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Receptor
PDB id Resolution Class Description Source Keywords
4AGI 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH SELENO FUCOSIDE. ASPERGILLUS FUMIGATUS SUGAR-BINDING PROTEIN
Ref.: A SOLUBLE FUCOSE-SPECIFIC LECTIN FROM ASPERGILLUS F CONIDIA - STRUCTURE, SPECIFICITY AND POSSIBLE ROLE FUNGAL PATHOGENICITY. PLOS ONE V. 8 83077 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SFU A:960;
A:910;
D:960;
C:910;
D:990;
D:940;
B:950;
C:950;
C:920;
A:990;
B:940;
A:940;
B:960;
B:920;
A:930;
A:920;
D:950;
C:940;
C:930;
D:930;
A:950;
D:910;
B:930;
B:910;
C:960;
D:920;
Valid;
Valid;
Valid;
Valid;
Invalid;
Valid;
Valid;
Valid;
Valid;
Invalid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
241.144 C7 H14 O4 Se C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D4U 1.99 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH LEWISY TETRASACCHARIDE. ASPERGILLUS FUMIGATUS SUGAR BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO ASPERGILLUS FUMIGATUS LECT SPECIFICITY: AFL BINDING SITES ARE FUNCTIONALLY NON EQUIVALENT. ACTA CRYSTALLOGR.,SECT.D V. 71 442 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4D4U Kd = 91.9 uM FUC C6 H12 O5 C[C@H]1[C@....
2 4AGI - SFU C7 H14 O4 Se C[C@H]1[C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4D4U Kd = 91.9 uM FUC C6 H12 O5 C[C@H]1[C@....
2 4AGI - SFU C7 H14 O4 Se C[C@H]1[C@....
3 5EO8 - TFU C7 H14 O4 Se C[C@H]1[C@....
4 5H47 - FSW C8 H16 O4 Se C[C@H]1[C@....
5 5EO7 - SFU C7 H14 O4 Se C[C@H]1[C@....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4D4U Kd = 91.9 uM FUC C6 H12 O5 C[C@H]1[C@....
2 4AGI - SFU C7 H14 O4 Se C[C@H]1[C@....
3 5EO8 - TFU C7 H14 O4 Se C[C@H]1[C@....
4 5H47 - FSW C8 H16 O4 Se C[C@H]1[C@....
5 5EO7 - SFU C7 H14 O4 Se C[C@H]1[C@....
6 1OFZ Kd = 24.1 uM FUL C6 H12 O5 C[C@H]1[C@....
7 1IUC - FUL C6 H12 O5 C[C@H]1[C@....
8 1IUB - FUL C6 H12 O5 C[C@H]1[C@....
9 5MXC - MFU C7 H14 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SFU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TFU 1 1
2 SFU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; Similar sites found with APoc: 92
This union binding pocket(no: 1) in the query (biounit: 4d4u.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5OO5 UUA None
2 3WDM ADN 1.53257
3 3BQD DAY 1.56863
4 1ZB6 GST 1.62866
5 5WX3 COA 1.90476
6 1HZP DAO 1.90476
7 1XG4 ICT 2.0339
8 6BQ6 TER 2.22222
9 1OX5 1PR 2.22222
10 6CLV 6MB 2.4055
11 3CKJ CIT 2.53968
12 4DV8 0LX 2.53968
13 5Y72 DST 2.53968
14 2WTX UDP 2.53968
15 3EWC MCF 2.53968
16 5AX9 4KT 2.5974
17 4ITU NAI 2.60223
18 5GP0 GPP 2.68456
19 6H3O FAD 2.85714
20 5HSA FAS 2.85714
21 4BFM ANP 2.85714
22 3GC8 B45 2.85714
23 2HZQ STR 2.87356
24 2ET1 GLV 2.98507
25 1IDA 0PO 3.0303
26 5LRT ADP 3.1746
27 1SAZ ACP 3.1746
28 1NHZ 486 3.21429
29 3A28 NAD 3.48837
30 4WNK 453 3.49206
31 2PVN P63 3.49206
32 1W2T SUC GLA 3.49206
33 1GEG NAD 3.51562
34 5ZFJ 9BF 3.52423
35 4NBU NAI 3.6
36 5HV0 AKG 3.68664
37 3ORK AGS 3.85852
38 4OAR 2S0 3.87597
39 3RGA LSB 3.88693
40 3FW4 CAQ 3.93258
41 4Q5M ROC 3.94089
42 3MWS 017 4.0404
43 4M8X KGQ 4.0404
44 2P3C 3TL 4.0404
45 3GGU 017 4.0404
46 3T3C 017 4.0404
47 5T2Z 017 4.0404
48 3U7S 017 4.0404
49 2XIQ MLC 4.12698
50 5IXH OTP 4.34783
51 3PE2 E1B 4.44444
52 2OBD 2OB 4.44444
53 1UU6 BGC BGC BGC BGC 4.46429
54 3B1J NAD 4.7619
55 2ZYI STE 4.7619
56 2BO4 FLC 4.7619
57 3H78 BE2 5.07937
58 4XB2 NDP 5.39683
59 4XB2 HSE 5.39683
60 5H5A 6OU 5.41667
61 3TAY MN0 5.52147
62 2TPS TPS 5.72687
63 1C3R TSN 6.03175
64 4WN5 MVC 6.95652
65 5V2J UDP 6.98413
66 5UKL SIX 7.30159
67 4A4X JUP 7.52688
68 5LNQ CAA 7.61905
69 3E9I XAH 7.61905
70 6BU0 IHP 7.63359
71 2I7C AAT 7.77385
72 2Z77 HE7 7.91367
73 1FDJ 13P 7.93651
74 3S43 478 8.08081
75 2P3B 3TL 8.08081
76 4NJS G08 8.08081
77 6C8X BVR 8.08081
78 2FXD DR7 8.08081
79 2O4N TPV 8.08081
80 3H86 AP5 8.33333
81 1W8S FBP 8.74525
82 3KJS DQ1 9.20635
83 4IX4 ADP 9.52381
84 5EVY FAD 9.52381
85 5G3U ITW 9.84127
86 3MTX PGT 10.596
87 2WSA 646 12.381
88 2WSA MYA 12.381
89 1BAI 0Q4 13.7097
90 3AFN NAP 14.7287
91 4YHQ G10 18.1818
92 2OMN IPH 19.3548
Pocket No.: 2; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; Similar sites found with APoc: 152
This union binding pocket(no: 2) in the query (biounit: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5UMY TNN None
2 1M7Y PPG 1.26984
3 4LSJ LSJ 1.55039
4 2BJF DXC 1.5873
5 1DRY AKG 1.5873
6 1DRY AAG 1.5873
7 4AG8 AXI 1.5873
8 5VC5 96M 1.7301
9 1UMZ BGC BGC XYS BGC XYS GAL 1.79856
10 4Y9J UCC 1.90476
11 2XK9 XK9 1.90476
12 5ML3 DL3 2.01342
13 2ZRU FMN 2.22222
14 2RFZ CTR 2.22222
15 2EQA AMP 2.22222
16 2JLD AG1 2.22222
17 3UN3 G16 2.22222
18 5ZI2 ADP 2.22222
19 4KWD JF2 2.2293
20 2NX1 PEP 2.24719
21 2NX1 RP5 2.24719
22 4KWI NAP 2.28137
23 4KWI 1TJ 2.28137
24 3BZ3 YAM 2.53623
25 3FP0 FP0 2.53968
26 3Q60 ATP 2.53968
27 4JJJ CE6 2.53968
28 4CS4 ANP 2.55474
29 4CS4 AXZ 2.55474
30 5F2T PLM 2.5974
31 3AMN CBI 2.64151
32 3AMN CBK 2.64151
33 6CZI 38E 2.67857
34 4IZY 1J2 2.85714
35 4HAP CBI 2.85714
36 3P2H NOO 2.98507
37 1O4T OXL 3.00752
38 3WDX BGC BGC GLC 3.02013
39 4MNS 2AX 3.14465
40 5LIA 6XN 3.1746
41 5L9V OGA 3.1746
42 5L9B AKG 3.1746
43 5OX6 A1Z 3.1746
44 4K5S PM0 3.1746
45 1V8B ADN 3.1746
46 2ABS ACP 3.1746
47 5Y9D FAD 3.1746
48 3E2M E2M 3.24324
49 3HQR OGA 3.25203
50 1QIN GIP 3.27869
51 2GQS C2R 3.37553
52 5J75 6GQ 3.40909
53 3JZ0 APC 3.48432
54 1R6T TYM 3.49206
55 4Z87 GDP 3.49206
56 1YKJ PHB 3.49206
57 4L80 1VU 3.49206
58 4JNE ATP 3.49206
59 3LKJ LKJ 3.5461
60 3NW7 LGV 3.58306
61 4OCT AKG 3.6036
62 3HXG GTA 3.7037
63 5OCG 9R5 3.7037
64 4O8O AHR 3.80952
65 5H41 IFM 3.80952
66 3ETG GLU 3.80952
67 3ETG NDP 3.80952
68 1Y9G FRU 3.80952
69 1NE6 SP1 3.88693
70 1KGI T4A 3.93701
71 2JIG PD2 4.01786
72 6FA4 D1W 4.04624
73 5KWY C3S 4.04858
74 1MJJ HAL 4.10959
75 4AZW ATP 4.12698
76 1REQ DCA 4.12698
77 4UOX PLP PUT 4.12698
78 5C3R HMU 4.12698
79 5C3R AKG 4.12698
80 3G08 FEE 4.21053
81 2JEN GLC GLC BGC XYS BGC XYS 4.21456
82 4NG2 OHN 4.42478
83 5UFS 1TA 4.43548
84 6E08 NAP 4.44444
85 5N87 N66 4.47284
86 1Y7P RIP 4.4843
87 4R78 AMP 4.53074
88 5UC4 83S 4.54545
89 5XDT MB3 4.54545
90 4WO4 JLS 4.74453
91 1C7O PPG 4.7619
92 3A7R LAQ 4.7619
93 2YGO PCF 4.78723
94 1UJP CIT 4.79705
95 5BU3 4W9 4.8913
96 5TO8 7FM 4.96454
97 5DQ8 FLF 5
98 4NMC FAD 5.07937
99 4J25 OGA 5.24017
100 1EWF PC1 5.39683
101 3LVW GSH 5.39683
102 5EH0 5NW 5.42636
103 5GM5 CBI 5.45455
104 4XF6 INS 5.49451
105 4XF6 LIP 5.49451
106 5DRB 5FJ 5.49828
107 5ZYN FAD 5.71429
108 1ZP9 ATP 5.81395
109 1UWZ THU 5.88235
110 4B1M FRU FRU 5.94595
111 1OPB RET 5.97015
112 5TBM 79A 5.98291
113 4P42 PEE 6.03175
114 2GSU AMP 6.03175
115 5NIU 8YZ 6.25
116 5UTQ OAN 6.57143
117 2BWA GLC BGC 6.60793
118 3PG7 PTY 6.64062
119 1RM0 D6P 6.66667
120 1KQW RTL 6.71642
121 2D37 FMN 6.81818
122 2D37 NAD 6.81818
123 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 6.90909
124 4RLT FSE 6.96203
125 5IXG OTP 7.10059
126 4RW3 IPD 7.28477
127 3QXG TLA 7.40741
128 4MDH NAD 7.61905
129 2BPM 529 8.09062
130 5E1M PRO PRO LYS ARG ILE ALA 8.57143
131 5E1M SAH 8.57143
132 5HA0 LTD 9.61539
133 3WXB NDP 9.67742
134 5FLJ QUE 9.67742
135 1N5S ADL 9.82143
136 3EKK GS2 10.0977
137 4F7E 0SH 10.2041
138 5VM6 9EG 10.219
139 4NS0 PIO 10.5263
140 1EWJ BLM 11.1111
141 2IFW ACE PHE LYS PHE PSA LEU AAR 11.165
142 3RUG DB6 11.7647
143 3L5R 47X 12.2951
144 5B09 4MX 12.5
145 1DZK PRZ 12.7389
146 2YFO GAL 13.6508
147 2YFO GLA 13.6508
148 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 14.8936
149 1OGX EQU 16.7939
150 3TCT 3MI 18.8976
151 2QQC AG2 30.1887
152 1N13 AG2 30.7692
Pocket No.: 3; Query (leader) PDB : 4D4U; Ligand: FUC GAL NDG FUC; Similar sites found with APoc: 91
This union binding pocket(no: 3) in the query (biounit: 4d4u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZB6 GST 1.62866
2 5FXD H7Y 1.90476
3 5ML3 DL3 2.01342
4 2WA4 069 2.22222
5 6F92 MVL 2.22222
6 2JLD AG1 2.22222
7 2RDQ AKG 2.43056
8 5Y72 DST 2.53968
9 3Q60 ATP 2.53968
10 2QTZ NAP 2.53968
11 2QV6 GTP 2.61194
12 2HZQ STR 2.87356
13 4ZSI GLP 2.92398
14 5U98 1KX 3.0303
15 4MNS 2AX 3.14465
16 5LIA 6XN 3.1746
17 4C01 QY9 3.19149
18 3E2M E2M 3.24324
19 1QIN GIP 3.27869
20 2GQS C2R 3.37553
21 1OI6 TMP 3.41463
22 3JZ0 CLY 3.48432
23 4FE2 AIR 3.52941
24 1UNB PN1 3.53698
25 1NYW DAU 3.5533
26 5HV0 AKG 3.68664
27 3NNF AKG 3.80952
28 3QRC SCR 3.82166
29 3FW4 CAQ 3.93258
30 1KGI T4A 3.93701
31 3A5Z KAA 4.12698
32 4AZW ATP 4.12698
33 2G50 PYR 4.12698
34 5IQT AKG 4.12698
35 3G08 FEE 4.21053
36 5IXH OTP 4.34783
37 2OBD 2OB 4.44444
38 6E08 NAP 4.44444
39 5F6U 5VK 4.4586
40 5N87 N66 4.47284
41 5XDT MB3 4.54545
42 3ZXR IQ1 4.7619
43 3ZXR P3S 4.7619
44 3A7R LAQ 4.7619
45 4A62 ANP 4.7619
46 2AG4 LP3 4.87805
47 2AG4 OLA 4.87805
48 5DQ8 FLF 5
49 4J25 OGA 5.24017
50 4U0W 16G 5.28455
51 3LVW GSH 5.39683
52 1LFO OLA 5.46875
53 5DRB 5FJ 5.49828
54 3VQ2 LP4 LP5 MYR DAO 5.55556
55 4ZDC CO8 5.66667
56 5JKG 6LF 5.78778
57 1OPB RET 5.97015
58 5TBM 79A 5.98291
59 3VPD ANP 6.04982
60 4WCX MET 6.34921
61 3BJK CIT 6.53595
62 3PG7 PTY 6.64062
63 4B1L FRU 6.66667
64 1KQW RTL 6.71642
65 4WN5 MVC 6.95652
66 4RLT FSE 6.96203
67 5IXG OTP 7.10059
68 2P7Q GG6 7.5188
69 3E9I XAH 7.61905
70 2IO8 ADP 7.61905
71 6BU0 IHP 7.63359
72 2Z77 HE7 7.91367
73 2BPM 529 8.09062
74 3E85 BSU 8.22785
75 2GJ5 VD3 8.64198
76 5A89 ADP 8.97436
77 5A89 FMN 8.97436
78 2XN2 GLA 9.52381
79 3QUZ QUV 9.54357
80 1N5S ADL 9.82143
81 4F7E 0SH 10.2041
82 6GNO XDI 10.3704
83 4NS0 PIO 10.5263
84 3MTX PGT 10.596
85 2YFO GAL 13.6508
86 2YFO GLA 13.6508
87 1E1O LYS 15.5556
88 4C2V YJA 15.9091
89 3TCT 3MI 18.8976
90 2BOS GLA GAL 29.4118
91 2BOS GLA GAL GLC 29.4118
Pocket No.: 4; Query (leader) PDB : 4D4U; Ligand: FUC NDG GAL FUC; Similar sites found with APoc: 214
This union binding pocket(no: 4) in the query (biounit: 4d4u.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2YJ0 420 None
2 5A6N U7E 1.06007
3 3ILR IXD 1.5873
4 3ILR SGN 1.5873
5 3ILR SGN IXD 1.5873
6 5A3T MMK 1.5873
7 2BJF DXC 1.5873
8 3B1Q NOS 1.5873
9 4EN4 GT0 1.60256
10 4EN4 ATP 1.60256
11 4EN4 GT1 1.60256
12 1ZB6 GST 1.62866
13 1ZB6 DIN 1.62866
14 4YGF AZM 1.7094
15 3TM0 B31 1.90114
16 3TM0 ANP 1.90114
17 1QD1 FON 1.90476
18 5YU3 PRO 1.90476
19 5YU3 NAD 1.90476
20 2XK9 XK9 1.90476
21 4GCZ FMN 1.90476
22 3EPO MP5 1.90476
23 3P7N FMN 1.93798
24 5ML3 DL3 2.01342
25 2V0U FMN 2.05479
26 4D06 NAR 2.12014
27 4IAW LIZ 2.12766
28 2WA4 069 2.22222
29 6FXR AKG 2.22222
30 1OX5 1PR 2.22222
31 3PTG 932 2.22222
32 4KBA 1QM 2.22222
33 4YZC STU 2.22222
34 2JLD AG1 2.22222
35 6CLV 6MB 2.4055
36 2RDQ AKG 2.43056
37 5I0U DCY 2.5
38 5N0L ILE 2.51572
39 3BZ3 YAM 2.53623
40 5IVE 6E8 2.53968
41 5Y72 DST 2.53968
42 3HDY GDU 2.53968
43 3HDY FAD 2.53968
44 3EWC MCF 2.53968
45 4NZN 2OU 2.53968
46 4NZN ANP 2.53968
47 3Q60 ATP 2.53968
48 5X2Z 3LM 2.53968
49 2QF7 AGS 2.53968
50 6CZI 38E 2.67857
51 1AKY AP5 2.72727
52 2E3N 6CM 2.7451
53 5IH9 6BF 2.85714
54 4BFM ANP 2.85714
55 3GC8 B45 2.85714
56 4X7Q 3YR 2.85714
57 2HZQ STR 2.87356
58 5JFS 6K0 2.92208
59 4ZSI GLP 2.92398
60 2GQR ADP 2.95359
61 3ZS7 ATP 3
62 3SCH TB6 3.0303
63 5FM0 WAQ 3.07692
64 2HKA C3S 3.07692
65 4MNS 2AX 3.14465
66 6FUL E7Z 3.1746
67 4CLI 5P8 3.1746
68 4WB6 ATP 3.1746
69 4IE6 UN9 3.1746
70 3TYZ XHP 3.21429
71 3AJH BL3 3.22581
72 1QIN GIP 3.27869
73 5DJU FMN 3.27869
74 3PVW QRX 3.30935
75 2GQS C2R 3.37553
76 2GQS ADP 3.37553
77 3JZ0 CLY 3.48432
78 4GID 0GH 3.49206
79 4GYI ADP 3.49206
80 2PYW ADP 3.49206
81 1SDW IYT 3.50318
82 4FE2 AIR 3.52941
83 1UNB AKG 3.53698
84 1UNB PN1 3.53698
85 4OCT AKG 3.6036
86 3HVJ 705 3.61991
87 1LBF 137 3.64372
88 5HV0 AKG 3.68664
89 5OCG 9R5 3.7037
90 5TZO 7V7 3.7234
91 3FW9 SLX 3.80952
92 3NNF AKG 3.80952
93 3RGA LSB 3.88693
94 5TFZ 7BC 4
95 6FA4 D1W 4.04624
96 5NBW 8SK 4.05405
97 5W0N UPU 4.12698
98 1BZL GCG 4.12698
99 5LGD PLM 4.12698
100 5M3Z PY6 4.12698
101 5M3Z NLE 4.12698
102 2G50 PYR 4.12698
103 5M3Z PLP 4.12698
104 4FG8 ATP 4.12698
105 2YY7 NAD 4.16667
106 5IXH OTP 4.34783
107 2CSN CKI 4.3771
108 3A51 VDY 4.37956
109 6E08 NAP 4.44444
110 2GVJ DGB 4.44444
111 2OBD 2OB 4.44444
112 5TA6 79D 4.44444
113 2XXP DSL 4.44444
114 2WKQ FMN 4.44444
115 4DXD 9PC 4.44444
116 4DM8 REA 4.49438
117 2LBD REA 4.49438
118 2PR5 FMN 4.54545
119 2J7T 274 4.63576
120 2YG2 S1P 4.65116
121 3T50 FMN 4.6875
122 6D6L FY4 4.70588
123 4XYM A12 4.7619
124 1E4E ADP 4.7619
125 1C7O PPG 4.7619
126 4HWS 1B3 4.7619
127 2YGO PCF 4.78723
128 3OVR 5SP 4.82456
129 2AG4 OLA 4.87805
130 2AG4 LP3 4.87805
131 2ARC ARA 4.87805
132 3EB9 FLC 4.88722
133 5BU3 4W9 4.8913
134 4OJ8 AKG 5.11945
135 4OJ8 2TQ 5.11945
136 1VQ2 DDN 5.18135
137 4LA7 A1O 5.18135
138 4J25 OGA 5.24017
139 5JNN 6LM 5.26316
140 4HMT FMN 5.33333
141 1EWF PC1 5.39683
142 4IJP 1EH 5.39683
143 6AM8 PLT 5.39683
144 5G61 FNY 5.39683
145 4XF6 ADP 5.49451
146 4XF6 INS 5.49451
147 4XF6 LIP 5.49451
148 1NX4 AKG 5.49451
149 4P25 FUC GAL NAG FUC 5.62914
150 4GJ3 0XP 5.62914
151 5KO1 6UY 5.65371
152 4X28 FDA 5.71429
153 2YGN PCF 5.76923
154 5TBM 79A 5.98291
155 5LI9 ACP 6.03175
156 4M26 AKG 6.03175
157 2FLI DX5 6.36364
158 3IS2 FAD 6.49351
159 1ERB ETR 6.55738
160 3PG7 PTY 6.64062
161 4H3Q ANP 6.66667
162 3D72 FAD 6.71141
163 1KQW RTL 6.71642
164 3SJU NDP 6.81004
165 4WN5 MVC 6.95652
166 4RLT FSE 6.96203
167 6FL8 ADP 6.98413
168 6FL8 TIY 6.98413
169 3UDZ ADP 6.98413
170 4QCK ASD 6.98413
171 3QP8 HL0 7.06522
172 1LVG 5GP 7.07071
173 5IXG OTP 7.10059
174 3GLC R5P 7.11864
175 3FHI ANP 7.14286
176 5UR6 8KM 7.18232
177 4WW8 VD9 7.22433
178 5UKL SIX 7.30159
179 4R5Z SIN 7.30159
180 1NWW HPN 7.38255
181 5USZ SKE 7.61246
182 1NJJ GET 7.61905
183 1XKQ NDP 7.85714
184 2Z77 NCA 7.91367
185 2Z77 HE7 7.91367
186 2V1O COA 7.94702
187 5SVV FMN 8.0292
188 2P3B 3TL 8.08081
189 1I7A PHE 8.10811
190 4RYV ZEA 8.3871
191 2Z6D FMN 8.46154
192 1OW4 2AN 8.52713
193 3A6T 8OG 8.52713
194 2GJ5 VD3 8.64198
195 5HCY 60D 9.20635
196 2WLG SOP 9.30233
197 4IX4 ADP 9.52381
198 5HA0 LTD 9.61539
199 1VYF OLA 9.62963
200 5YF9 NIO 9.84127
201 3L9R L9R 10.2041
202 6F6J SIN 10.3352
203 6F6J CUW 10.3352
204 1M5W DXP 11.1111
205 2R40 EPH 11.4068
206 1W2D ADP 11.6981
207 4Q5H ANP 12.069
208 2Z6C FMN 12.4031
209 5DBX ANP 12.6984
210 2G37 FAD 12.844
211 5DJT FMN 13.1148
212 1I7M PUT 14.9254
213 5EFW FMN 15
214 5KEW 6SB 15.2778
215 4UX9 ANP 50
Pocket No.: 5; Query (leader) PDB : 4D4U; Ligand: FUC NDG GAL FUC; Similar sites found with APoc: 41
This union binding pocket(no: 5) in the query (biounit: 4d4u.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZQ6 ADP ALF 1.26984
2 1EOM NAG MAN MAN MAN NAG GAL NAG GAL 2.06897
3 3ETH ATP 2.22222
4 3OTX AP5 2.22222
5 3KC1 2T6 2.53968
6 2GWH PCI 2.68456
7 1AJ0 PH2 3.19149
8 1AJ0 SAN 3.19149
9 3E2M E2M 3.24324
10 6F6D AKG 3.49206
11 1ZM1 BGC BGC BGC 3.73444
12 3FW4 CAQ 3.93258
13 5OES ADP 4.12698
14 4S28 SAH 4.44444
15 4S28 AIR 4.44444
16 5C03 AGS 4.44444
17 5DQ8 FLF 5
18 3MZS HC9 5.07937
19 1P1M MET 5.71429
20 4QRH 0O2 5.71429
21 5NKN LOC 6.32184
22 4IGQ THR M3L GLN 6.34921
23 1RM0 NAI 6.66667
24 4BVA T3 6.98413
25 5G5G FAD 7.30159
26 4N70 2HX 7.30159
27 3QXG TLA 7.40741
28 1T0A FPP 7.54717
29 5DKK FMN 7.58621
30 3CB2 GDP 7.61905
31 2XMY CDK 8.38926
32 5XQW 8EU 8.53081
33 5FPX GLY SER SER HIS HIS HIS HIS HIS 8.84956
34 4R3U 3HC 9.49367
35 4R3U 3KK 9.49367
36 3G6K FAD 10.0649
37 3G6K POP 10.0649
38 1G2N EPH 11.3636
39 4XIZ LPP 15.7143
40 3VPB ADP 25
41 2BOS GLA GAL 29.4118
Pocket No.: 6; Query (leader) PDB : 4D4U; Ligand: FUC; Similar sites found with APoc: 43
This union binding pocket(no: 6) in the query (biounit: 4d4u.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3B1Q NOS 1.5873
2 3A2Q ACA ACA 2.0284
3 5V1B 8UY 2.08333
4 1YKD CMP 2.22222
5 1VA6 P2S 2.22222
6 2Q7D ANP 2.22222
7 5YBN AKG 2.2293
8 4RFR RHN 2.46305
9 4X6X S74 2.53968
10 5FI3 NAP 2.85714
11 5KBF CMP 2.99003
12 1ZZ7 S0H 3.0303
13 5E2N V14 3.04183
14 2RHQ GAX 3.06122
15 2BOY BHO 3.14961
16 5L9V OGA 3.1746
17 5OX6 A1Z 3.1746
18 5L9B AKG 3.1746
19 2ABS ACP 3.1746
20 1V8B NAD 3.1746
21 6EXF LYS 3.1746
22 1QIN GIP 3.27869
23 3KMR EQN 3.38346
24 4JE7 BB2 3.5533
25 4GN8 ASO 3.67893
26 3OV6 MK0 3.80952
27 4P7X AKG 4.10959
28 4P7X YCP 4.10959
29 5IQT AKG 4.12698
30 5IQT 6CU 4.12698
31 1E4E ADP 4.7619
32 4OJ8 AKG 5.11945
33 4J25 OGA 5.24017
34 5AAN XOC 5.34759
35 3BGD PM6 5.38462
36 1NX4 AKG 5.49451
37 2OVD DAO 6.59341
38 2Z6D FMN 8.46154
39 3A6T 8OG 8.52713
40 2QTR NXX 10.582
41 3G5K BB2 10.929
42 6AYI C3G 15.5779
43 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 16.4319
Pocket No.: 7; Query (leader) PDB : 4D4U; Ligand: FUC GAL; Similar sites found with APoc: 121
This union binding pocket(no: 7) in the query (biounit: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z2P I3S 1.26984
2 1Z2P ACP 1.26984
3 1DRY AAG 1.5873
4 1DRY AKG 1.5873
5 4CYI ATP 1.5873
6 4IID NOJ 1.5873
7 2DHC DCE 1.6129
8 1UMZ BGC BGC XYS BGC XYS GAL 1.79856
9 2R5V HHH 2.22222
10 2Q7D ANP 2.22222
11 3H7J PPY 2.46914
12 5N0L ILE 2.51572
13 3C6K MTA 2.53968
14 3C6K SPD 2.53968
15 1J3R 6PG 2.63158
16 2GC0 PAN 2.65957
17 4RPO T6C 2.69058
18 4JGP PYR 2.76498
19 1X0P FAD 2.7972
20 5K21 6QF 2.83688
21 5VZ0 ADP 2.85714
22 1IIU RTL 2.87356
23 2HZQ STR 2.87356
24 4ZSI GLP 2.92398
25 6EXF LYS 3.1746
26 5LIA 6XN 3.1746
27 5Y9D FAD 3.1746
28 4K33 ACP 3.1746
29 1QIN GIP 3.27869
30 2GQS C2R 3.37553
31 4L80 1VU 3.49206
32 1SDW IYT 3.50318
33 4FE2 AIR 3.52941
34 1UNB AKG 3.53698
35 1UNB PN1 3.53698
36 5HV0 AKG 3.68664
37 1WKR IVA VAL VAL STA ALA STA 3.80952
38 1NE6 SP1 3.88693
39 3RGA ILD 3.88693
40 3FW4 CAQ 3.93258
41 2JIG PD2 4.01786
42 5KWY C3S 4.04858
43 5NBW 8SK 4.05405
44 1MJJ HAL 4.10959
45 1REQ DCA 4.12698
46 2XIQ MLC 4.12698
47 2ADA HPR 4.12698
48 2G50 PYR 4.12698
49 5FKP 6UL 4.21053
50 2JEN GLC GLC BGC XYS BGC XYS 4.21456
51 4NG2 OHN 4.42478
52 2OBD 2OB 4.44444
53 3PUR 2HG 4.44444
54 5I8T LAC 4.46927
55 5N87 N66 4.47284
56 5ECP ATP 4.4843
57 5ECP MET 4.4843
58 5ECP JAA 4.4843
59 3A76 SPD 4.54545
60 3A7R LAQ 4.7619
61 4HSJ 6PC 5.17241
62 4J25 OGA 5.24017
63 3KDM TES 5.33333
64 4UXL 5P8 5.39683
65 5KR7 6X9 5.39683
66 4JD3 PLM 5.39683
67 4JD3 COA 5.39683
68 2I6A 5I5 5.39683
69 3LVW GSH 5.39683
70 5H5A 6OU 5.41667
71 1LFO OLA 5.46875
72 4XF6 INS 5.49451
73 4XF6 LIP 5.49451
74 4XF6 ADP 5.49451
75 5NKB 8ZT 5.55556
76 4P25 FUC GAL NAG FUC 5.62914
77 1ZP9 ATP 5.81395
78 1S20 NAD 5.88235
79 4B1M FRU FRU 5.94595
80 5TBM 79A 5.98291
81 1OS7 TAU 6.00707
82 1OS7 AKG 6.00707
83 4P42 PEE 6.03175
84 2X41 BGC 6.03175
85 4KCT PYR 6.03175
86 1JCM 137 6.17761
87 5UTQ OAN 6.57143
88 2BWA GLC BGC 6.60793
89 3PG7 PTY 6.64062
90 4ITM ATP 6.66667
91 4B1L FRU 6.66667
92 1H8S AIC 6.74603
93 2QIE 8CS 6.75676
94 4YHO 4CC 6.84932
95 5WO4 B7V 6.95364
96 4WN5 MVC 6.95652
97 4RLT FSE 6.96203
98 4QCK ASD 6.98413
99 3PNA CMP 7.14286
100 4RW3 IPD 7.28477
101 2IO8 ADP 7.61905
102 6BU0 IHP 7.63359
103 2BPM 529 8.09062
104 5XQW 8EU 8.53081
105 1FLM FMN 9.01639
106 4R3U 3HC 9.49367
107 2XN2 GLA 9.52381
108 3QUZ QUV 9.54357
109 1LYB IVA VAL VAL STA ALA STA 9.95851
110 1EWJ BLM 11.1111
111 3RUG DB6 11.7647
112 4BJZ FAD 12.381
113 4BJZ P3A 12.381
114 4L2I NAD 12.5475
115 6C4A PYR 13.0159
116 2YFO GAL 13.6508
117 2YFO GLA 13.6508
118 1MFD GLA MMA ABE 14.8837
119 1OGX EQU 16.7939
120 2E1A MSE 18.6667
121 3VPB ADP 25
Pocket No.: 8; Query (leader) PDB : 4D4U; Ligand: FUC; Similar sites found with APoc: 27
This union binding pocket(no: 8) in the query (biounit: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4W9N TCL 1.5873
2 5FXD H7Y 1.90476
3 5X8I SQZ 1.90476
4 3P7N FMN 1.93798
5 3MJY FMN 2.22222
6 3MJY IJZ 2.22222
7 1PN0 FAD 2.22222
8 5XEG AKG 2.5974
9 4RPO T6C 2.69058
10 3CAQ NDP 2.85714
11 1UNB PN1 3.53698
12 1UNB AKG 3.53698
13 2P3C 3TL 4.0404
14 1LC8 33P 4.44444
15 2YGO PCF 4.78723
16 6GG9 FMN 4.93827
17 4OJ8 2TQ 5.11945
18 2I6A 5I5 5.39683
19 3RC1 NAP 5.71429
20 3NJ4 NAD 5.71429
21 5YLY FAD 6.50685
22 1QNF FAD 6.98413
23 3GLC R5P 7.11864
24 4R38 RBF 7.85714
25 2Z6C FMN 12.4031
26 2ZMF CMP 16.9312
27 2D0V PQQ 19.4444
Pocket No.: 9; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; Similar sites found with APoc: 54
This union binding pocket(no: 9) in the query (biounit: 4d4u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1T9D 1MM 1.26984
2 1T9D PYD 1.26984
3 1T9D FAD 1.26984
4 1T9D P25 1.26984
5 5BVE 4VG 1.5873
6 4BG1 IVL 1.5873
7 4BG1 OGA 1.5873
8 3G9E RO7 1.84502
9 2I3G NAP 1.90476
10 5FAL COA 1.90476
11 5FAL SKT 1.90476
12 2YNE NHW 2.22222
13 2YNE YNE 2.22222
14 4WHZ 3NL 2.22222
15 2WET FAD 2.22222
16 6C0T EE4 2.22222
17 1IZE IVA VAL VAL STA ALA STA 2.53968
18 1SJD NPG 2.53968
19 5C4L SIS 2.53968
20 2ART LPA AMP 2.67176
21 4ER2 IVA VAL VAL STA ALA STA 2.72727
22 4JGP PYR 2.76498
23 3EMY IVA VAL VAL STA ALA STA 2.85714
24 2H6T IVA VAL VAL STA ALA STA 2.85714
25 3CQD ATP 2.91262
26 1U7Z PMT 3.09735
27 1QPR PHT 3.16901
28 1QPR PPC 3.16901
29 2GU8 796 3.1746
30 1RE8 BD2 3.1746
31 1IYK MIM 3.1746
32 3KRL KRL 3.1746
33 2VJ8 HA2 3.1746
34 6C1S EFV 3.1746
35 5BO9 SIA GAL NGS 3.1746
36 5BV3 M7G 3.1746
37 3PVW QRX 3.30935
38 4RRG A3T 3.5461
39 4LHD GLY 3.80952
40 3IAE D7K 3.80952
41 3FV3 IVA VAL VAL STA ALA STA 4.12698
42 4WAS COO 4.12698
43 3BL7 DD1 4.31894
44 5TA6 79D 4.44444
45 2BIF ANP 5.07937
46 6AM8 PLT 5.39683
47 6DZN AE3 6.10329
48 3BJK CIT 6.53595
49 1GPM AMP 7.30159
50 2V1O COA 7.94702
51 2GJ5 VD3 8.64198
52 3KJS NAP 9.20635
53 2Z6C FMN 12.4031
54 3KV8 FAH 14.3885
Pocket No.: 10; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; Similar sites found with APoc: 48
This union binding pocket(no: 10) in the query (biounit: 4d4u.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZB6 DIN 1.62866
2 2E5A LAQ 1.90476
3 5XWC 2IT 1.90476
4 5XWC NAP 1.90476
5 5XWC 8GL 1.90476
6 5W4W 9WG 2.22222
7 2Q7D ANP 2.22222
8 6FXR AKG 2.22222
9 2RDE C2E 2.78884
10 5K21 6QF 2.83688
11 5IH9 6BF 2.85714
12 2A8Y MTA 2.96296
13 4RFM 3P6 3.00752
14 5U98 1KX 3.0303
15 2HKA C3S 3.07692
16 4CLI 5P8 3.1746
17 6EXF LYS 3.1746
18 5AB7 MLC 3.1746
19 3T64 DU3 3.31492
20 4GID 0GH 3.49206
21 2D1S SLU 3.49206
22 1UNB PN1 3.53698
23 1UNB AKG 3.53698
24 3PQB VGP 3.80952
25 3A5Y KAA 4.12698
26 6A1G 9OL 4.12698
27 6GK6 MYR 4.12698
28 4QDC ASD 4.12698
29 4KBS PX2 4.18605
30 1C9K 5GP 4.44444
31 3T50 FMN 4.6875
32 4ZGP ADP 4.7619
33 6G9I CXX 4.7619
34 5D2R 56W 4.7836
35 4UXL 5P8 5.39683
36 4JD3 PLM 5.39683
37 4XF6 ADP 5.49451
38 4ZDC CO8 5.66667
39 1RM0 NAI 6.66667
40 2CXS F6P 6.98413
41 2IO8 ADP 7.61905
42 3E85 BSU 8.22785
43 5FPX GLY SER SER HIS HIS HIS HIS HIS 8.84956
44 5HCY 60D 9.20635
45 3QUZ QUV 9.54357
46 3L9R L9R 10.2041
47 4K3H 1OM 11.8644
48 4WW7 AMP 12.2995
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