OLIGOSACCHARIDES

Entry Composition and Details

PDBx/mmCIF category	Legacy PDB format records	Description
_entity	COMPND	Details about each unique molecular entity (protein, nucleic acid, carbohydrate, small molecule) present in the structure.

Example:

loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.pdbx_ec
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.details
1	polymer	man	'FUCOLECTIN-RELATED PROTEIN'	66769.758	1	?	YES	'CATALYTIC MODULE, RESIDUES 31-589'	?
2	branched	man	"alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose"	681.7	1	?	?	?	?
3	water	nat	water	18.015	334	?	?	?	?

PDBx/mmCIF category	Legacy PDB format records	Description
_pdbx_entity_branch	N/A	Specifies the list of branched entities and the type.

Example:

_pdbx_entity_branch.entity_id	2
_pdbx_entity_branch.type	oligosaccharide

PDBx/mmCIF category	Legacy PDB format records	Description
_pdbx_entity_branch_descriptor	N/A	Provides string descriptors of entity chemical structure.

Example:

loop_
_pdbx_entity_branch_descriptor.ordinal
_pdbx_entity_branch_descriptor.entity_id
_pdbx_entity_branch_descriptor.descriptor
_pdbx_entity_branch_descriptor.type
_pdbx_entity_branch_descriptor.program
_pdbx_entity_branch_descriptor.program_version
1	2	"LFucpa1-2DGalpb1-4[LFucpa1-3]DGlcpNAcb1-ROH"	"Glycam Condensed Sequence"	GMML	1.0
2	2	"WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2/a3-b1_a4-c1_c2-d1"	WURCS	PDB2Glycan	1.1
3	2	"[][b-D-GlcpNAc]{[(3+1)][a-L-Fucp]{}[(4+1)][b-D-Galp]{[(2+1)][a-L-Fucp]{}}}"	LINUCS	PDB-CARE	?

Sequence

PDBx/mmCIF category	Legacy PDB format records	Description
_pdbx_entity_branch_list	N/A	Specifies the list of monomers in a branched entity. Allowance is made for the possibility of microheterogeneity in a sample by allowing a given sequence number to be correlated with more than one monomer ID.

Example:

loop_
_pdbx_entity_branch_list.entity_id
_pdbx_entity_branch_list.comp_id
_pdbx_entity_branch_list.num
_pdbx_entity_branch_list.hetero
2	NAG	1	n
2	GAL	2	n
2	FUC	3	n
2	FUC	4	n

PDBx/mmCIF category	Legacy PDB format records	Description
_pdbx_branch_scheme	N/A	Residue level nomenclature mapping for branch chain entities.

Example:

loop_
_pdbx_branch_scheme.asym_id
_pdbx_branch_scheme.entity_id
_pdbx_branch_scheme.mon_id
_pdbx_branch_scheme.num
_pdbx_branch_scheme.pdb_asym_id
_pdbx_branch_scheme.pdb_mon_id
_pdbx_branch_scheme.pdb_seq_num
_pdbx_branch_scheme.auth_asym_id
_pdbx_branch_scheme.auth_mon_id
_pdbx_branch_scheme.auth_seq_num
_pdbx_branch_scheme.hetero
B	2	NAG	1	B	NAG	1	A	NAG	1592	n
B	2	GAL	2	B	GAL	2	A	GAL	1591	n
B	2	FUC	3	B	FUC	3	A	FUC	1590	n
B	2	FUC	4	B	FUC	4	A	FUC	1593	n

Connectivity

PDBx/mmCIF category	Legacy PDB format records	Description
_pdbx_entity_branch_link	N/A	Details about the linkages between components within a branched entity.

Example:

loop_

_pdbx_entity_branch_link.link_id

_pdbx_entity_branch_link.entity_id

_pdbx_entity_branch_link.entity_branch_list_num_1

_pdbx_entity_branch_link.comp_id_1

_pdbx_entity_branch_link.atom_id_1

_pdbx_entity_branch_link.leaving_atom_id_1

_pdbx_entity_branch_link.atom_stereo_config_1

_pdbx_entity_branch_link.entity_branch_list_num_2

_pdbx_entity_branch_link.comp_id_2

_pdbx_entity_branch_link.atom_id_2

_pdbx_entity_branch_link.leaving_atom_id_2

_pdbx_entity_branch_link.atom_stereo_config_2

_pdbx_entity_branch_link.value_order

_pdbx_entity_branch_link.details

GAL

NAG

HO4

sing

FUC

GAL

HO2

sing

FUC

NAG

HO3

sing

PDBx/mmCIF category	Legacy PDB format records	Description
_struct_conn	LINK SSBOND	Details about the connections between portions of the structure. These can be covalent bonds, disulfide bridges, hydrogen bonds, and so on.

Example:

loop_

_struct_conn.id

_struct_conn.conn_type_id

_struct_conn.pdbx_leaving_atom_flag

_struct_conn.pdbx_PDB_id

_struct_conn.ptnr1_label_asym_id

_struct_conn.ptnr1_label_comp_id

_struct_conn.ptnr1_label_seq_id

_struct_conn.ptnr1_label_atom_id

_struct_conn.pdbx_ptnr1_label_alt_id

_struct_conn.pdbx_ptnr1_PDB_ins_code

_struct_conn.pdbx_ptnr1_standard_comp_id

_struct_conn.ptnr1_symmetry

_struct_conn.ptnr2_label_asym_id

_struct_conn.ptnr2_label_comp_id

_struct_conn.ptnr2_label_seq_id

_struct_conn.ptnr2_label_atom_id

_struct_conn.pdbx_ptnr2_label_alt_id

_struct_conn.pdbx_ptnr2_PDB_ins_code

_struct_conn.ptnr1_auth_asym_id

_struct_conn.ptnr1_auth_comp_id

_struct_conn.ptnr1_auth_seq_id

_struct_conn.ptnr2_auth_asym_id

_struct_conn.ptnr2_auth_comp_id

_struct_conn.ptnr2_auth_seq_id

_struct_conn.ptnr2_symmetry

_struct_conn.pdbx_ptnr3_label_atom_id

_struct_conn.pdbx_ptnr3_label_seq_id

_struct_conn.pdbx_ptnr3_label_comp_id

_struct_conn.pdbx_ptnr3_label_asym_id

_struct_conn.pdbx_ptnr3_label_alt_id

_struct_conn.pdbx_ptnr3_PDB_ins_code

_struct_conn.details

_struct_conn.pdbx_dist_value

_struct_conn.pdbx_value_order

_struct_conn.pdbx_role

covale1

covale

one

ASN

ND2

1_555

NAG

ASN

NAG

409

1_555

1.440

N-Glycosylation

covale2

covale

one

ASN

207

ND2

1_555

NAG

ASN

207

NAG

1_555

1.418

N-Glycosylation

covale3

covale

one

ASN

305

ND2

1_555

NAG

ASN

305

NAG

1_555

1.451

N-Glycosylation

covale4

covale

both

NAG

1_555

NAG

1_555

1.357

covale5

covale

both

NAG

1_555

NAG

1_555

1.369

covale6

covale

both

NAG

1_555

BMA

NAG

BMA

1_555

1.374

covale7

covale

both

BMA

1_555

MAN

BMA

MAN

1_555

1.363

covale8

covale

both

BMA

1_555

MAN

BMA

MAN

1_555

1.353

covale9

covale

both

MAN

1_555

MAN

1_555

1.346