eF-site ID 6cug-ABDE
PDB Code 6cug
Chain A, B, D, E

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Title Crystal structure of BC8B TCR-CD1b-PC complex
Classification IMMUNE SYSTEM
Compound T-cell surface glycoprotein CD1b
Source (6CUG)
Sequence A:  AFQGPTSFHVIQTSSFTNSTWAQTQGSGWLDDLQIHGWDS
DSGTAIFLKPWSKGNFSDKEVAELEEIFRVYIFGFAREVQ
DFAGDFQMKYPFEIQGIAGCELHSGGAIVSFLRGALGGLD
FLSVKNASCVPSPEGGSRAQKFCALIIQYQGIMETVRILL
YETCPRYLLGVLNAGKADLQRQVKPEAWLSSGPSPGPGRL
QLVCHVSGFYPKPVWVMWMRGEQEQQGTQLGDILPNANWT
WYLRATLDVADGEAAGLSCRVKHSSLEGQDIILYWR
B:  IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLL
KNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYAC
RVNHVTLSQPKIVKWDR
D:  GNSVTQMEGPVTLSEEAFLTINCTYTATGYPSLFWYVQYP
GEGLQLLLKATKADDKGSNKGFEATYRKETTSFHLEKGSV
QVSDSAVYFCALTPSGGYQKVTFGTGTKLQVIPNIQNPDP
AVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDK
CVLDMRSMDFKSNSAVAWSNKDFACA
E:  AGVTQTPKFRVLKTGQSMTLLCAQDMNHEYMYWYRQDPGM
GLRLIHYSVGEGTTAKGEVPDGYNVSRLKKQNFLLGLESA
APSQTSVYFCASSMPGLRSSYEQYFGPGTRLTVTEDLKNV
FPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWW
VNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATF
WQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAW
GRAD
Description (1)  T-cell surface glycoprotein CD1b, Beta-2-microglobulin, T-cell receptor alpha variable TRAV9-2 - BC8B TCR, T-cell receptor beta variable TRBV6-2 - BC8B TCR


Functional site

1) chain A
residue 38
type
ligand
sequence H
description binding site for residue CUY A 402
source : AC1

2) chain A
residue 63
type
ligand
sequence V
description binding site for residue CUY A 402
source : AC1

3) chain A
residue 73
type
ligand
sequence Y
description binding site for residue CUY A 402
source : AC1

4) chain A
residue 77
type
ligand
sequence F
description binding site for residue CUY A 402
source : AC1

5) chain A
residue 81
type
ligand
sequence V
description binding site for residue CUY A 402
source : AC1

6) chain A
residue 88
type
ligand
sequence F
description binding site for residue CUY A 402
source : AC1

7) chain A
residue 98
type
ligand
sequence G
description binding site for residue CUY A 402
source : AC1

8) chain A
residue 99
type
ligand
sequence I
description binding site for residue CUY A 402
source : AC1

9) chain A
residue 116
type
ligand
sequence G
description binding site for residue CUY A 402
source : AC1

10) chain A
residue 123
type
ligand
sequence F
description binding site for residue CUY A 402
source : AC1

11) chain A
residue 124
type
ligand
sequence L
description binding site for residue CUY A 402
source : AC1

12) chain A
residue 144
type
ligand
sequence F
description binding site for residue CUY A 402
source : AC1

13) chain A
residue 10
type
ligand
sequence F
description binding site for residue POV D 301
source : AC2

14) chain A
residue 77
type
ligand
sequence F
description binding site for residue POV D 301
source : AC2

15) chain A
residue 100
type
ligand
sequence A
description binding site for residue POV D 301
source : AC2

16) chain A
residue 114
type
ligand
sequence L
description binding site for residue POV D 301
source : AC2

17) chain A
residue 126
type
ligand
sequence V
description binding site for residue POV D 301
source : AC2

18) chain A
residue 131
type
ligand
sequence C
description binding site for residue POV D 301
source : AC2

19) chain A
residue 144
type
ligand
sequence F
description binding site for residue POV D 301
source : AC2

20) chain A
residue 148
type
ligand
sequence I
description binding site for residue POV D 301
source : AC2

21) chain A
residue 153
type
ligand
sequence G
description binding site for residue POV D 301
source : AC2

22) chain A
residue 154
type
ligand
sequence I
description binding site for residue POV D 301
source : AC2

23) chain A
residue 155
type
ligand
sequence M
description binding site for residue POV D 301
source : AC2

24) chain A
residue 157
type
ligand
sequence T
description binding site for residue POV D 301
source : AC2

25) chain A
residue 161
type
ligand
sequence L
description binding site for residue POV D 301
source : AC2

26) chain A
residue 166
type
ligand
sequence C
description binding site for residue POV D 301
source : AC2

27) chain D
residue 28
type
ligand
sequence T
description binding site for residue POV D 301
source : AC2

28) chain D
residue 29
type
ligand
sequence G
description binding site for residue POV D 301
source : AC2

29) chain D
residue 30
type
ligand
sequence Y
description binding site for residue POV D 301
source : AC2

30) chain D
residue 31
type
ligand
sequence P
description binding site for residue POV D 301
source : AC2

31) chain D
residue 94
type
ligand
sequence P
description binding site for residue POV D 301
source : AC2

32) chain D
residue 95
type
ligand
sequence S
description binding site for residue POV D 301
source : AC2

33) chain D
residue 98
type
ligand
sequence Y
description binding site for residue POV D 301
source : AC2

34) chain E
residue 2
type
ligand
sequence A
description binding site for residue CL E 301
source : AC3

35) chain E
residue 3
type
ligand
sequence G
description binding site for residue CL E 301
source : AC3

36) chain E
residue 26
type
ligand
sequence D
description binding site for residue CL E 301
source : AC3

37) chain A
residue 20
type
ligand
sequence N
description binding site for Mono-Saccharide NAG A 401 bound to ASN A 20
source : AC4

38) chain A
residue 10
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence F
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

39) chain A
residue 12
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence V
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

40) chain A
residue 58
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence F
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

41) chain A
residue 66
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence L
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

42) chain A
residue 69-70
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence IF
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

43) chain A
residue 72-73
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence VY
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

44) chain A
residue 76-77
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence GF
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

45) chain A
residue 80
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence E
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

46) chain A
residue 100-101
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence AG
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

47) chain A
residue 114
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence L
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

48) chain A
residue 124
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence L
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

49) chain A
residue 126
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence V
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

50) chain A
residue 131
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence C
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

51) chain A
residue 144
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence F
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

52) chain A
residue 148
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence I
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

53) chain A
residue 153-155
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence GIM
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

54) chain A
residue 157-158
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence TV
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

55) chain A
residue 161-162
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence LL
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

56) chain A
residue 165-166
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence TC
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

57) chain A
residue 169
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence Y
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

58) chain D
residue 28-31
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence TGYP
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

59) chain D
residue 94-96
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence PSG
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

60) chain D
residue 98-99
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence YQ
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

61) chain E
residue 98
type binding
ligand POV: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
sequence L
description (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate binding site
source pdb_hetatom : POV_6cug_D_301

62) chain A
residue 12-14
type binding
ligand CUY: tetracosyl octadecanoate
sequence VIQ
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

63) chain A
residue 28-30
type binding
ligand CUY: tetracosyl octadecanoate
sequence GSG
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

64) chain A
residue 38-40
type binding
ligand CUY: tetracosyl octadecanoate
sequence HGW
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

65) chain A
residue 47
type binding
ligand CUY: tetracosyl octadecanoate
sequence A
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

66) chain A
residue 49
type binding
ligand CUY: tetracosyl octadecanoate
sequence F
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

67) chain A
residue 54-55
type binding
ligand CUY: tetracosyl octadecanoate
sequence SK
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

68) chain A
residue 58
type binding
ligand CUY: tetracosyl octadecanoate
sequence F
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

69) chain A
residue 63
type binding
ligand CUY: tetracosyl octadecanoate
sequence V
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

70) chain A
residue 66
type binding
ligand CUY: tetracosyl octadecanoate
sequence L
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

71) chain A
residue 70
type binding
ligand CUY: tetracosyl octadecanoate
sequence F
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

72) chain A
residue 73-74
type binding
ligand CUY: tetracosyl octadecanoate
sequence YI
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

73) chain A
residue 77
type binding
ligand CUY: tetracosyl octadecanoate
sequence F
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

74) chain A
residue 80-81
type binding
ligand CUY: tetracosyl octadecanoate
sequence EV
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

75) chain A
residue 84-85
type binding
ligand CUY: tetracosyl octadecanoate
sequence FA
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

76) chain A
residue 88
type binding
ligand CUY: tetracosyl octadecanoate
sequence F
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

77) chain A
residue 90
type binding
ligand CUY: tetracosyl octadecanoate
sequence M
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

78) chain A
residue 94
type binding
ligand CUY: tetracosyl octadecanoate
sequence F
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

79) chain A
residue 96-100
type binding
ligand CUY: tetracosyl octadecanoate
sequence IQGIA
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

80) chain A
residue 114-118
type binding
ligand CUY: tetracosyl octadecanoate
sequence LRGAL
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

81) chain A
residue 123-124
type binding
ligand CUY: tetracosyl octadecanoate
sequence FL
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

82) chain A
residue 140
type binding
ligand CUY: tetracosyl octadecanoate
sequence R
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

83) chain A
residue 144
type binding
ligand CUY: tetracosyl octadecanoate
sequence F
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

84) chain A
residue 147-148
type binding
ligand CUY: tetracosyl octadecanoate
sequence LI
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

85) chain A
residue 169
type binding
ligand CUY: tetracosyl octadecanoate
sequence Y
description tetracosyl octadecanoate binding site
source pdb_hetatom : CUY_6cug_A_402

86) chain A
residue 19-20
type binding
ligand NAG: N-ACETYL-D-GLUCOSAMINE
sequence TN
description N-ACETYL-D-GLUCOSAMINE binding site
source pdb_hetatom : NAG_6cug_A_401

87) chain A
residue 22-23
type binding
ligand NAG: N-ACETYL-D-GLUCOSAMINE
sequence TW
description N-ACETYL-D-GLUCOSAMINE binding site
source pdb_hetatom : NAG_6cug_A_401


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