BMRB Entry 26750

Name: Cytochrome P450 MycG
Published: 2017-08-11

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PDB ID: 5uhu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR26750
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Cytochrome P450 MycG

Deposition date:

2016-02-29

Original release date:

2017-08-11

Authors:

Tietz, Drew; Pochapsky, Thomas

Citation:

Citation: Tietz, Drew; Podust, Larissa; Sherman, David; Pochapsky, Thomas. "Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG" Biochemistry 56, 2701-2714 (2017).
PubMed: 28488849

Assembly members:

Assembly members:
MycG, polymer, 397 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.
MYCINAMICIN IV, non-polymer, 695.880 Da.

Natural source:

Natural source: Common Name: high GC Gram+ Taxonomy ID: 28040 Superkingdom: Bacteria Kingdom: not available Genus/species: Micromonospora griseorubida

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pDNC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MycG: MTSAEPRAYPFNDVHGLTLA GRYGELQETEPVSRVRPPYG EEAWLVTRYEDVRAVLGDGR FVRGPSMTRDEPRTRPEMVK GGLLSMDPPEHSRLRRLVVK AFTARRAESLRPRAREIAHE LVDQMAATGQPADLVAMFAR QLPVRVICELLGVPSADHDR FTRWSGAFLSTAEVTAEEMQ EAAEQAYAYMGDLIDRRRKE PTDDLVSALVQARDQQDSLS EQELLDLAIGLLVAGYESTT TQIADFVYLLMTRPELRRQL LDRPELIPSAVEELTRWVPL GVGTAFPRYAVEDVTLRGVT IRAGEPVLASTGAANRDQAQ FPDADRIDVDRTPNQHLGFG HGVHHCLGAPLARVELQVAL EVLLQRLPGIRLGIPETQLR WSEGMLLRGPLELPVVW

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	561
15N chemical shifts	285
1H chemical shifts	288

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MycG	1
2	Heme	2
3	Mycinamicin IV	3

Entities:

Entity 1, MycG 397 residues - Formula weight is not available

1

MET

THR

SER

ALA

GLU

PRO

ARG

ALA

TYR

PRO

2

PHE

ASN

ASP

VAL

HIS

GLY

LEU

THR

LEU

ALA

3

GLY

ARG

TYR

GLY

GLU

LEU

GLN

GLU

THR

GLU

4

PRO

VAL

SER

ARG

VAL

ARG

PRO

TYR

GLY

5

GLU

ALA

TRP

LEU

VAL

THR

ARG

TYR

GLU

6

ASP

VAL

ARG

ALA

VAL

LEU

GLY

ASP

GLY

ARG

7

PHE

VAL

ARG

GLY

PRO

SER

MET

THR

ARG

ASP

8

GLU

PRO

ARG

THR

ARG

PRO

GLU

MET

VAL

LYS

9

GLY

LEU

SER

MET

ASP

PRO

GLU

10

HIS

SER

ARG

LEU

ARG

LEU

VAL

LYS

11

ALA

PHE

THR

ALA

ARG

ALA

GLU

SER

LEU

12

ARG

PRO

ARG

ALA

ARG

GLU

ILE

ALA

HIS

GLU

13

LEU

VAL

ASP

GLN

MET

ALA

THR

GLY

GLN

14

PRO

ALA

ASP

LEU

VAL

ALA

MET

PHE

ALA

ARG

15

GLN

LEU

PRO

VAL

ARG

VAL

ILE

CYS

GLU

LEU

16

LEU

GLY

VAL

PRO

SER

ALA

ASP

HIS

ASP

ARG

17

PHE

THR

ARG

TRP

SER

GLY

ALA

PHE

LEU

SER

18

THR

ALA

GLU

VAL

THR

ALA

GLU

MET

GLN

19

GLU

ALA

GLU

GLN

ALA

TYR

ALA

TYR

MET

20

GLY

ASP

LEU

ILE

ASP

ARG

LYS

GLU

21

PRO

THR

ASP

LEU

VAL

SER

ALA

LEU

VAL

22

GLN

ALA

ARG

ASP

GLN

ASP

SER

LEU

SER

23

GLU

GLN

GLU

LEU

ASP

LEU

ALA

ILE

GLY

24

LEU

VAL

ALA

GLY

TYR

GLU

SER

THR

25

THR

GLN

ILE

ALA

ASP

PHE

VAL

TYR

LEU

26

MET

THR

ARG

PRO

GLU

LEU

ARG

GLN

LEU

27

LEU

ASP

ARG

PRO

GLU

LEU

ILE

PRO

SER

ALA

28

VAL

GLU

LEU

THR

ARG

TRP

VAL

PRO

LEU

29

GLY

VAL

GLY

THR

ALA

PHE

PRO

ARG

TYR

ALA

30

VAL

GLU

ASP

VAL

THR

LEU

ARG

GLY

VAL

THR

31

ILE

ARG

ALA

GLY

GLU

PRO

VAL

LEU

ALA

SER

32

THR

GLY

ALA

ASN

ARG

ASP

GLN

ALA

GLN

33

PHE

PRO

ASP

ALA

ASP

ARG

ILE

ASP

VAL

ASP

34

ARG

THR

PRO

ASN

GLN

HIS

LEU

GLY

PHE

GLY

35

HIS

GLY

VAL

HIS

CYS

LEU

GLY

ALA

PRO

36

LEU

ALA

ARG

VAL

GLU

LEU

GLN

VAL

ALA

LEU

37

GLU

VAL

LEU

GLN

ARG

LEU

PRO

GLY

ILE

38

ARG

LEU

GLY

ILE

PRO

GLU

THR

GLN

LEU

ARG

39

TRP

SER

GLU

GLY

MET

LEU

ARG

GLY

PRO

40

LEU

GLU

LEU

PRO

VAL

TRP

Entity 2, Heme - 616.487 Da.

1

HEM

Entity 3, Mycinamicin IV - 695.880 Da.

1

MIV

Samples:

sample_1: MycG, [U-13C; U-15N; U-2H], 0.4 mM; Heme 0.4 mM; mycinamycin IV 0.4 mM; H2O 90%; D2O 10%

sample_2: MycG, [U-13C; U-15N; U-2H], 0.4 mM; Heme 0.4 mM; mycinamycin IV 0.4 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.2 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.2 M; pH: 7.4; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_2
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_2
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_2

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz

UNP	Q59523
PDB	2Y46
AlphaFold	Q59523