6D64

Crystal Structure of Human CD1b in Complex with POPC

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Functional Information from GO Data

ChainGOidnamespacecontents
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC121binding site for residue POV A 417
ChainResidue
ALEU66
AILE69
AVAL72
ATYR73
AGLY76
AALA100
AVAL126
AALA129
ACYS131
AILE148
AGLN152
AGLY153
AILE154
AMET155
ATHR157
AVAL158
ALEU161
ATYR169
ACUY418
AHOH503
AHOH512

AC213binding site for residue CUY A 418
ChainResidue
AILE13
APHE70
ATYR73
APHE84
APHE88
AMET90
AILE96
AGLY98
AALA100
AGLY116
APHE123
AILE148
APOV417

AC33binding site for residue CL A 419
ChainResidue
ATRP40
AHOH519
AHOH627

AC41binding site for residue CL A 420
ChainResidue
ALEU191

AC54binding site for residue CL A 421
ChainResidue
AARG115
AASP122
AHOH545
BLYS60

AC63binding site for residue CL A 423
ChainResidue
AARG71
AGLN228
AHOH519

AC77binding site for residue EDO A 425
ChainResidue
APRO93
APHE94
AHOH516
AHOH542
AHOH564
AHOH617
BPRO34

AC83binding site for residue EDO A 426
ChainResidue
ANA427
AHOH528
AHOH534

AC94binding site for residue NA A 427
ChainResidue
AHIS105
AEDO426
AHOH568
AHOH593

AD12binding site for residue IOD A 428
ChainResidue
AARG278
ANAG404

AD22binding site for residue IOD A 429
ChainResidue
ALYS214
AHOH508

AD32binding site for residue CL B 201
ChainResidue
BGLY45
BALA81

AD47binding site for residue EDO B 202
ChainResidue
AALA179
BTHR88
BLEU89
BSER90
BGLN91
BHOH303
BHOH359

AD55binding site for Poly-Saccharide residues NAG A 408 through FUC A 411 bound to ASN A 20
ChainResidue
ATHR19
AASN20
ATRP23
AGLN271
AHOH502

AD637binding site for Poly-Saccharide residues NAG A 401 through MAN A 407 bound to ASN A 57
ChainResidue
AASP43
AASN57
APHE58
AARG168
ALEU171
AMET221
AARG222
AGLY223
AGLU255
AALA257
AGLY258
ASER260
ATYR276
ASER280
AIOD428
AHOH511
AHOH517
AHOH547
AHOH559
AHOH567
AHOH569
AHOH573
AHOH585
AHOH588
AHOH590
AHOH618
AHOH623
AHOH628
AHOH643
AHOH652
AHOH659
AHOH673
AHOH679
AHOH688
AHOH695
AHOH708
AHOH737

AD711binding site for Poly-Saccharide residues NAG A 412 through MAN A 416 bound to ASN A 128
ChainResidue
AASN128
AARG201
AGLN203
AARG246
AHOH506
AHOH509
AHOH529
AHOH595
AHOH690
AHOH706
AHOH735

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
POV_6d64_A_41739(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
ChainResidueligand
APHE10POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AVAL12POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AHIS38POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
ASER54-LYS55POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
APHE58POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AVAL63POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
ALEU66POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AGLU68-PHE70POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AVAL72-TYR73POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AGLY76-PHE77POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AARG79-GLU80POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AALA100-GLY101POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
ALEU114POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
ALEU124POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AVAL126POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AALA129-CYS131POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
APHE144POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AILE148-ILE149POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
AGLN152-MET155POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
ATHR157-VAL158POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
ALEU161-LEU162POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
ATHR165-CYS166POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
ATYR169POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

CUY_6d64_A_41841tetracosyl octadecanoate binding site
ChainResidueligand
AVAL12-GLN14CUY: tetracosyl octadecanoate
AGLY28-GLY30CUY: tetracosyl octadecanoate
AHIS38-TRP40CUY: tetracosyl octadecanoate
AALA47CUY: tetracosyl octadecanoate
APHE49CUY: tetracosyl octadecanoate
AVAL63CUY: tetracosyl octadecanoate
ALEU66-GLU67CUY: tetracosyl octadecanoate
APHE70CUY: tetracosyl octadecanoate
ATYR73-ILE74CUY: tetracosyl octadecanoate
APHE77CUY: tetracosyl octadecanoate
AGLU80-VAL81CUY: tetracosyl octadecanoate
APHE84-ALA85CUY: tetracosyl octadecanoate
APHE88CUY: tetracosyl octadecanoate
AMET90CUY: tetracosyl octadecanoate
AILE96-ALA100CUY: tetracosyl octadecanoate
ALEU114-LEU118CUY: tetracosyl octadecanoate
APHE123-LEU124CUY: tetracosyl octadecanoate
AARG140CUY: tetracosyl octadecanoate
APHE144CUY: tetracosyl octadecanoate
ALEU147-ILE148CUY: tetracosyl octadecanoate
ATYR151CUY: tetracosyl octadecanoate

NAG_6d64_A_4084N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
ATHR19-ASN20NAG: N-ACETYL-D-GLUCOSAMINE
ATHR22-TRP23NAG: N-ACETYL-D-GLUCOSAMINE

FUC_6d64_A_4094ALPHA-L-FUCOSE binding site
ChainResidueligand
ATHR19FUC: ALPHA-L-FUCOSE
ATRP23FUC: ALPHA-L-FUCOSE
AGLN25FUC: ALPHA-L-FUCOSE
BASP36FUC: ALPHA-L-FUCOSE

EDO_6d64_A_42621,2-ETHANEDIOL binding site
ChainResidueligand
ASER21-THR22EDO: 1,2-ETHANEDIOL

NAG_6d64_A_4016N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
AASN57-PHE58NAG: N-ACETYL-D-GLUCOSAMINE
AGLU62NAG: N-ACETYL-D-GLUCOSAMINE
AARG168NAG: N-ACETYL-D-GLUCOSAMINE
ALEU171-GLY172NAG: N-ACETYL-D-GLUCOSAMINE

EDO_6d64_A_42541,2-ETHANEDIOL binding site
ChainResidueligand
APRO93-GLU95EDO: 1,2-ETHANEDIOL
BPRO34EDO: 1,2-ETHANEDIOL

NAG_6d64_A_4044N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
AILE110NAG: N-ACETYL-D-GLUCOSAMINE
APRO167-ARG168NAG: N-ACETYL-D-GLUCOSAMINE
ALEU171NAG: N-ACETYL-D-GLUCOSAMINE

NAG_6d64_A_4121N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
AASN128NAG: N-ACETYL-D-GLUCOSAMINE

FUC_6d64_A_4031ALPHA-L-FUCOSE binding site
ChainResidueligand
AARG168FUC: ALPHA-L-FUCOSE

FUC_6d64_A_4022ALPHA-L-FUCOSE binding site
ChainResidueligand
ALEU171FUC: ALPHA-L-FUCOSE
AASN175FUC: ALPHA-L-FUCOSE

EDO_6d64_B_20251,2-ETHANEDIOL binding site
ChainResidueligand
BTHR88-GLN91EDO: 1,2-ETHANEDIOL
BLYS93EDO: 1,2-ETHANEDIOL

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
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Catalytic Information from CSA

site_idNumber of ResiduesDetails