eF-site ID 3dzj-B
PDB Code 3dzj
Chain B

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Title Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex
Classification HYDROLASE
Compound ADP-ribosyl cyclase 1
Source Homo sapiens (Human) (CD38_HUMAN)
Sequence B:  RWRQTWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQS
VWDAFKGAFISKHPCDITEEDYQPLMKLGTQTVPCNKILL
WSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFA
TSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVV
HVMLDGSRSKIFDKDSTFGSVQVHNLQPEKVQTLEAWVIH
GGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKF
LQCVKNPEDSSC
Description (1)  ADP-ribosyl cyclase 1 (E.C.3.2.2.5)


Functional site

1) chain B
residue 125
type
ligand
sequence W
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

2) chain B
residue 126
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

3) chain B
residue 127
type
ligand
sequence R
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

4) chain B
residue 145
type
ligand
sequence L
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

5) chain B
residue 146
type
ligand
sequence E
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

6) chain B
residue 155
type
ligand
sequence D
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

7) chain B
residue 189
type
ligand
sequence W
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

8) chain B
residue 193
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

9) chain B
residue 220
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

10) chain B
residue 221
type
ligand
sequence T
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

11) chain B
residue 222
type
ligand
sequence F
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

12) chain B
residue 226
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE NMN B 301
source : AC2

13) chain B
residue 81
type ACT_SITE
ligand
sequence D
description
source Swiss-Prot : SWS_FT_FI3

14) chain B
residue 163
type ACT_SITE
ligand
sequence F
description
source Swiss-Prot : SWS_FT_FI3

15) chain B
residue 124-127
type binding
ligand NMN: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
sequence LWSR
description BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE binding site
source pdb_hetatom : NMN_3dzj_B_301

16) chain B
residue 129
type binding
ligand NMN: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
sequence K
description BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE binding site
source pdb_hetatom : NMN_3dzj_B_301

17) chain B
residue 145-146
type binding
ligand NMN: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
sequence LE
description BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE binding site
source pdb_hetatom : NMN_3dzj_B_301

18) chain B
residue 155
type binding
ligand NMN: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
sequence D
description BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE binding site
source pdb_hetatom : NMN_3dzj_B_301

19) chain B
residue 189
type binding
ligand NMN: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
sequence W
description BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE binding site
source pdb_hetatom : NMN_3dzj_B_301

20) chain B
residue 193
type binding
ligand NMN: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
sequence S
description BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE binding site
source pdb_hetatom : NMN_3dzj_B_301

21) chain B
residue 220-223
type binding
ligand NMN: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
sequence STFG
description BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE binding site
source pdb_hetatom : NMN_3dzj_B_301

22) chain B
residue 226
type binding
ligand NMN: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
sequence Q
description BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE binding site
source pdb_hetatom : NMN_3dzj_B_301

23) chain B
residue 226
type catalytic
ligand
sequence Q
description Annotated By Reference To The Literature 1r16
source CSA : CSA2

24) chain B
residue 146
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1r16
source CSA : CSA2


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