PDB-9rzz: PYCR1 in complex with pyrrolidine-1-sulfonic acid.

ID or keywords:

Entry

Database: PDB / ID: 9rzz

Title

PYCR1 in complex with pyrrolidine-1-sulfonic acid.

Components

Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

Keywords

OXIDOREDUCTASE / delta-1-pyrroline-5-carboxylate reductase / PYCR1 / cancer / crystallographic fragment screening (XFS) / molecular docking / inhibitors / proline metabolism

Function / homology

Function and homology information

pyrroline-5-carboxylate reductase / pyrroline-5-carboxylate reductase activity / L-proline biosynthetic process / Glutamate and glutamine metabolism / : / negative regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway / regulation of mitochondrial membrane potential / cellular response to oxidative stress / mitochondrial matrix / mitochondrion / identical protein binding
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.7 Å

Authors

Ragin-Oh, W. / Ruszkowski, M. / Czerwonka, D.

Funding support

Poland, 1items

Citation

Journal: Bioorg.Chem. / Year: 2025
Title: Crystallographic fragment screening reveals new starting points for PYCR1 inhibitor design.
Authors: Ragin-Oh, W. / Czerwonka, D. / Tran, L.H. / Forlani, G. / Ruszkowski, M.

History

Deposition	Jul 16, 2025	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 15, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9rzz.cif.gz	650.2 KB	Display	PDBx/mmCIF format
PDB format	pdb9rzz.ent.gz		Display	PDB format
PDBx/mmJSON format	9rzz.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9rzz_validation.pdf.gz	2.7 MB	Display	wwPDB validaton report
Full document	9rzz_full_validation.pdf.gz	2.7 MB	Display
Data in XML	9rzz_validation.xml.gz	67.7 KB	Display
Data in CIF	9rzz_validation.cif.gz	89.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/rz/9rzz ftp://data.pdbj.org/pub/pdb/validation_reports/rz/9rzz	HTTPS FTP

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Related structure data

Related structure data	9s01C 9s02C 9s04C C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Experimental dataset #1	Data reference: 10.60884/DSLYQF / Data set type: diffraction image data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#234 - Jun 2019 MDM2 and Cancer similarity (1) #111 - Mar 2009 Hydrogenase similarity (1) #228 - Dec 2018 Directed Evolution of Enzymes similarity (1) #127 - Jul 2010 Crystallins similarity (1)

Deposited unit

A: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

B: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

C: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

D: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

E: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

hetero molecules

181 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

B: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

C: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

D: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

E: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

hetero molecules

A: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

B: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

C: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

D: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

E: Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial

hetero molecules

defined by author
Evidence: gel filtration
362 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	164.549, 88.040, 116.662
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P2₁2₁2
Space group name Hall	P22ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x+1/2,y+1/2,-z #4: -x,-y,z

Components on special symmetry positions

ID	Model	Components
1	1	B-640- HOH
2	1	E-510- HOH

#1: Protein	Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial / P5C reductase 1 / P5CR 1 Mass: 35961.352 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: PYCR1 / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: P32322, pyrroline-5-carboxylate reductase
#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-A1JKN / pyrrolidine-1-sulfonic acid Mass: 151.184 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₄H₉NO₃S / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 808 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	N

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.35 Å³/Da / Density % sol: 47.66 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion / pH: 8.5 Details: Based on Morpheus 2.34 condition (Molecular Dimension), containing 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M sodium citrate tribasic, 0.02 M potassium sodium tartrate, 0.02 M ...Details: Based on Morpheus 2.34 condition (Molecular Dimension), containing 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M sodium citrate tribasic, 0.02 M potassium sodium tartrate, 0.02 M sodium oxamate, 0.1 M Tris (base), BICINE pH 8.5, 20% ethylene glycol, 10% PEG 8000, and supplemented with 10% ethylene glycol for cryoprotection.

Crystal

Density Matthews: 2.35 Å³/Da / Density % sol: 47.66 %

Crystal grow

Temperature: 291 K / Method: vapor diffusion / pH: 8.5
Details: Based on Morpheus 2.34 condition (Molecular Dimension), containing 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M sodium citrate tribasic, 0.02 M potassium sodium tartrate, 0.02 M ...

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 1.0597 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 29, 2025
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0597 Å / Relative weight: 1
Reflection	Resolution: 1.7→46.55 Å / Num. obs: 185960 / % possible obs: 99.7 % / Redundancy: 13.77 % / B_iso Wilson estimate: 24.76 Å² / CC_1/2: 1 / R_merge(I) obs: 0.12 / R_rim(I) all: 0.12 / Net I/σ(I): 18.19
Reflection shell	Resolution: 1.7→1.8 Å / Redundancy: 13.2 % / R_merge(I) obs: 2.71 / Mean I/σ(I) obs: 1.47 / Num. unique obs: 29800 / CC_1/2: 0.456 / R_rim(I) all: 2.8 / % possible all: 99.7

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
XDS		data reduction
XSCALE		data scaling
REFMAC		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.7→46.55 Å / SU ML: 0.2581 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.9709
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2149	1857	1 %
R_work	0.1907	183990	-
obs	0.1909	185847	99.68 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 43.71 Å²

Refinement step

Cycle: LAST / Resolution: 1.7→46.55 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10114	0	85	808	11007

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0065	10520
X-RAY DIFFRACTION	f_angle_d	0.8284	14266
X-RAY DIFFRACTION	f_chiral_restr	0.0501	1703
X-RAY DIFFRACTION	f_plane_restr	0.0073	1838
X-RAY DIFFRACTION	f_dihedral_angle_d	12.6582	3882

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.7-1.74	0.3993	141	0.3998	13963	X-RAY DIFFRACTION	99.42
1.74-1.8	0.3991	142	0.3551	14065	X-RAY DIFFRACTION	99.92
1.8-1.85	0.3147	142	0.3278	14045	X-RAY DIFFRACTION	99.87
1.85-1.92	0.2839	142	0.2798	14042	X-RAY DIFFRACTION	99.75
1.92-2	0.2625	141	0.2488	14043	X-RAY DIFFRACTION	99.64
2-2.09	0.2424	142	0.215	14050	X-RAY DIFFRACTION	99.57
2.09-2.2	0.2042	142	0.1989	14078	X-RAY DIFFRACTION	99.48
2.2-2.34	0.1813	141	0.1752	14017	X-RAY DIFFRACTION	99.38
2.34-2.52	0.2045	142	0.1717	14150	X-RAY DIFFRACTION	99.67
2.52-2.77	0.1903	144	0.1724	14208	X-RAY DIFFRACTION	99.97
2.77-3.17	0.2034	144	0.1737	14270	X-RAY DIFFRACTION	99.97
3.17-3.99	0.1748	145	0.1593	14330	X-RAY DIFFRACTION	99.76
3.99-46.55	0.2076	149	0.1657	14729	X-RAY DIFFRACTION	99.48

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	1.5967871907	-0.0237402668753	3.72188674326	5.48518772566	-1.31567511177	9.09648135059	-0.620930596876	0.161258309095	0.561072552655	-1.79169674704	0.342465260571	1.52746187853	-1.01391330832	-0.627357099841	0.202326681135	1.0008179317	-0.0193388418639	-0.35125801542	0.473210966588	0.0557000721164	0.824189264882	11.7714652847	26.5841268398	43.9677011024
2	0.936583499659	-1.2725966159	-0.109723788776	4.44088813835	0.421519387581	0.320938213194	0.0901747669795	0.146292977922	-0.362270296846	-0.706079290027	-0.0509588972495	0.112361835662	0.126947341544	0.00123694547694	-0.0374111581564	0.387261936515	-0.00343669975002	0.037518361064	0.25997352283	-0.033263129984	0.380606713165	16.0644713432	21.147808274	55.7865118757
3	0.958091036854	-0.195892735445	0.100505605963	1.77458211237	-0.366654846291	0.95242972725	0.00678478120505	0.0346724376048	-0.122635588048	-0.197290216966	0.0263270113736	-0.233436246953	0.0451681334515	0.0874145556693	-0.0442663214271	0.152507237922	0.0101117256043	0.0348339453413	0.207275428197	-0.0167711246543	0.256469578809	15.7239446378	43.0815556584	70.0119564599
4	6.11131686364	0.584580504931	4.39985261761	6.95589151053	0.433512841019	7.84767391583	-0.0358013284134	1.00878211081	-0.221723991177	-0.961701843423	0.111628786251	-0.949806748707	0.0219770680063	1.35102553706	-0.0367640798812	0.45678348872	-0.0208942854695	0.129789402791	0.423598608774	-0.0597286403679	0.84461562407	33.6293626655	67.0134862037	54.3725915772
5	7.77775837422	1.57290483557	0.942421700243	1.96300238228	1.69235029596	6.06067138827	-0.290524039	0.177736647926	-0.175614369661	-0.295051596186	0.220266586373	-1.02213030264	0.244115795538	0.452349366384	0.128022202681	0.249279246222	0.0478622466891	0.130834692451	0.297061865148	0.0463745295898	0.666084593931	35.9857864409	60.6593016095	59.4011643562
6	3.42795890735	-4.51568399689	-0.961804310739	8.74436991461	-1.14037890502	2.58660436947	0.0636097718872	-2.28341026737	0.386540916788	2.75426300953	0.668827100007	-1.77648005805	0.620717273163	0.812019027105	-0.631333438585	1.01442925789	-0.00651951641956	-0.196584034799	0.903276602593	-0.0551314613768	0.773032520504	40.957428955	60.8712154695	71.5997968005
7	3.41000617706	-1.03796792639	0.0561292145229	2.33904502661	0.83158747323	2.3171371553	-0.0574244348556	-0.192947436865	0.290397153841	0.120070522287	0.111214519085	-0.708461826979	-0.079430074339	0.318374089594	-0.0489484087093	0.299134346035	-0.017941301607	0.0209729409376	0.31398082297	0.0223324242702	0.717283617503	32.44771472	73.42689336	65.1805387324
8	2.29925082288	1.16648085299	0.0738021806514	7.53284106747	-0.464328513382	1.35567004231	-0.0713490622816	0.0907441510152	0.523798956738	-0.265435883395	0.0494933994023	-0.0162797946655	-0.221450060273	0.0303817147793	0.0221185790802	0.24968377956	-0.00521288087861	0.0606170717428	0.223932046925	0.0424221275579	0.39832409648	22.7990532485	71.1658217875	59.6772245862
9	7.27912028062	0.860690924608	1.46018428764	6.21749191234	-2.09652394923	4.27556094733	0.0100786869879	0.584652151035	0.146256469548	-0.998483109443	0.0835161113439	-0.220080964258	-0.103267333198	0.113206043389	-0.0373643648974	0.350034159507	-0.018600757807	0.118499156244	0.229712437354	0.0308086106887	0.327343891022	21.9159004275	63.9178519435	52.5234656465
10	0.633035472626	-0.38795090689	0.097178764452	3.32505459455	-1.35112887959	1.23905490708	-0.0262065615952	0.0497334356401	0.0905854201024	-0.209708396716	-0.0133598917919	-0.275381187772	0.054749318064	0.0360412807283	0.0616479346516	0.159413063269	-0.00608747966607	0.0576346294699	0.212711601868	-0.0132476476379	0.252923321931	18.484447381	43.9762390468	67.2311911214
11	3.73350733041	0.559787100875	-0.197956597159	5.80979674035	0.104243314672	0.693448097045	-0.0671981323962	0.425629353073	0.15668622247	-0.485672293087	0.0784461219053	-0.134810607114	0.105742247894	-0.0732471554909	-0.00400209598263	0.150182907453	0.00673831935593	0.00401475110726	0.224667780844	0.0226548165048	0.202612872239	3.72350618009	36.6682891384	63.327386751
12	3.64678704236	-0.557992688936	-0.258056896785	2.94016967618	0.482741349614	5.0724282548	-0.00636295229128	-0.0522560463545	0.828209609134	0.0836941861018	-0.112205187612	-0.113706083985	-0.706094376088	0.15199185853	0.027356756891	0.208802070975	0.0151571259079	-0.0275318295038	0.2197138897	0.011996813743	0.342966055152	10.7083946289	61.6233825947	73.2249069021
13	6.53737855454	3.8573614121	2.27632080812	5.75317920248	2.34391139782	2.2490834636	0.180121988228	0.249247675246	0.941105699506	-0.598669299901	-0.0643646633214	-0.663509056193	-0.372181257359	0.422304613372	-0.260436123881	0.444852439837	0.00688378204717	0.151595088121	0.366985592983	0.0197513170215	0.790377721817	42.8975029675	26.9789909101	88.8675806367
14	4.82338930672	3.54254619735	-0.278789513813	4.87126896766	1.86992004802	4.93631193188	-0.461944671557	0.799735376715	0.9964223745	-2.74680271317	0.329215444986	-0.655771135372	-1.33087086067	0.255271707936	0.149395111115	1.2433583086	-0.0144995314803	0.1265706357	0.486953599694	0.00662203673256	1.1040816702	46.7417751746	26.7218336477	82.1074418666
15	3.39958446292	1.21911818584	-2.15130189199	7.50509996216	-0.981150616931	6.95699893451	-0.0588375089893	0.383751347877	0.127829055447	-1.33962366108	0.127346842617	-0.614153139194	0.393190887639	0.254879701861	-0.102940331739	0.529931091092	0.0425395756854	0.0260718137488	0.264800411647	0.00519967817178	0.583650265162	38.2334518145	13.4429428386	87.3008467444
16	1.85051957584	0.903808313016	-0.303006916059	3.0404181658	-0.881204078126	2.72774039497	-0.0575153592984	-0.0687104547946	0.134692210704	0.245958636876	0.0521077342294	-0.493241253136	0.281750736281	0.160610307634	-0.0128451526368	0.230522572297	0.0394848282802	-0.113127668464	0.221625599637	-0.0117684540541	0.460311642061	36.7461683257	21.368271542	99.3284296602
17	1.04925158689	-0.763307589551	0.119368708921	2.34495035483	-0.714818069839	0.719069673251	-0.0222778010449	-0.0334123841684	-0.015832751759	0.0683075507682	-0.018877305879	-0.403217189845	0.017231253612	0.0713893596891	0.06251218901	0.134046258301	0.00413400167389	-0.0546660018867	0.197990770937	-0.0178015735293	0.317064964831	26.7020055872	44.2244117308	92.6155937646
18	2.02718487846	-0.448547054511	0.105662956695	3.66914557569	0.559948382139	2.02417978431	-0.029715111038	-0.112496267398	-0.0856563470847	0.228218821781	0.0657536365835	-0.254958215289	0.145704618778	0.056165826642	-0.048865296308	0.0901614171472	0.000718448468937	-0.0208896395246	0.181424307437	0.035893138647	0.204568600823	17.0839744758	39.7903890241	98.7296135127
19	4.55750874318	-3.35286710281	1.06151560993	5.47437994306	2.27705713197	8.75280084488	0.0728699637221	-0.387951473369	-0.258751469651	0.918587546306	0.113705352442	-0.192009667867	0.00284994329026	0.0148207799189	-0.144055668979	0.435614725377	-0.0794598431472	-0.145143912701	0.24964099423	0.0831015994058	0.446773618201	36.0985191083	64.5267746669	115.580041259
20	0.525952497925	0.771093707581	0.206457218142	2.06323217676	0.286533446061	0.575917748478	-0.0136767529824	-0.00145361749734	0.0661882737757	0.103618240636	-0.003787779853	-0.259916351399	-0.194463047877	0.0874766220554	0.0139375623908	0.211065713818	-0.00121026806299	-0.076337144072	0.215543958644	0.0101392172009	0.38502385328	29.5327446409	57.8938560503	98.398534878
21	4.56059639443	-0.456189052573	-0.153883170249	4.0671093756	-0.438825426294	4.00327358774	0.0832935718923	-0.152955175751	0.703723937025	0.0743937478696	-0.123452681798	0.0539139831882	-0.79480494304	-0.00540742051298	0.0462801042006	0.251549001687	-0.00600832756548	-0.0124515227848	0.213498645103	0.0199473396293	0.287737515692	16.7823589648	62.1475671283	93.4716312257
22	6.74335876853	-4.53603378042	-2.42876047773	5.36161722283	3.15188463266	7.79674147382	0.0142998903228	-0.360461785998	0.27809723337	0.822391419082	0.117510900231	-1.17616330227	-0.156891889833	0.551298139573	-0.0952528167412	0.608659139733	-0.0452503336375	-0.267863450667	0.382368185636	0.0072977118277	0.63807391212	11.6890875947	26.9813134418	128.780642102
23	3.82916460069	-2.174264319	2.91576200556	8.85250407085	3.37852906617	5.60865092768	0.15424677484	0.231884030566	1.14574783965	0.158083227095	0.189476391897	-2.91150793319	-0.442643381363	0.9834645649	-0.242797087397	0.823404114728	-0.0286773697328	-0.193680968196	0.475049456842	0.0765880545455	1.32664483764	19.5139125172	26.3762049423	129.753416597
24	2.05842518271	0.120125523836	0.293864071819	5.66291905731	-0.246847578527	1.55965671345	5.83814126724E-5	-0.144828897344	-0.519549002387	0.61663976974	0.0186168672802	-0.506424748166	0.188190081094	0.207297106855	-0.0387283230919	0.530557959388	-0.00542209902385	-0.0836508783344	0.268245598249	0.0712206059585	0.429746149583	6.02135928597	17.2299742103	125.142155062
25	1.10804008839	0.812993261117	-0.398719843649	3.94188661461	-0.993667034632	1.18921408502	0.0405418699715	-0.110702195162	-0.146494666377	0.480322433151	-0.0502977226786	-0.216068133168	0.0161681696308	-0.0030138031195	0.0136468231536	0.240317515777	0.0243529068505	-0.0378968931384	0.178933304283	0.00354111545955	0.158458589151	3.18835429428	44.1466533613	114.494867606
26	2.87722824418	-0.241061894478	1.73033836378	5.50455220396	-0.535775008044	3.5193430426	-0.0126123944852	-0.305895255187	0.0296160175539	0.590471910504	0.16440429312	0.212308619321	-0.122932631503	-0.41121472565	-0.135136913641	0.20151788831	0.0208242099073	0.0163766098335	0.199190445096	0.014861878938	0.245880492184	-11.1589670286	51.3788632871	108.874774454
27	2.80241005781	-0.687639485123	0.161804666345	5.49761339714	-0.751244900618	4.58729791077	0.108151226598	0.140386615991	-0.789629545329	-0.00688628463646	-0.178197268713	-0.0671759070127	0.607236694487	0.107144410567	-0.0636756646945	0.18613218695	-0.0215304706392	0.0038472159107	0.175723704075	-0.000430728388784	0.325094759276	0.630892594868	26.718051102	105.224698837

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 1 through 48 )	A	A	1 - 48	1 - 48
2	2	chain 'A' and (resid 49 through 194 )	A	A	49 - 194	49 - 194
3	3	chain 'A' and (resid 195 through 273 )	A	A	195 - 273	195 - 273
4	4	chain 'B' and (resid -4 through 9 )	B	E	-4 - 9	1 - 14
5	5	chain 'B' and (resid 10 through 33 )	B	E	10 - 33	15 - 38
6	6	chain 'B' and (resid 34 through 47 )	B	E	34 - 47	39 - 52
7	7	chain 'B' and (resid 48 through 100 )	B	E	48 - 100	53 - 105
8	8	chain 'B' and (resid 101 through 144 )	B	E	101 - 144	106 - 149
9	9	chain 'B' and (resid 145 through 163 )	B	E	145 - 163	150 - 168
10	10	chain 'B' and (resid 164 through 219 )	B	E	164 - 219	169 - 224
11	11	chain 'B' and (resid 220 through 249 )	B	E	220 - 249	225 - 254
12	12	chain 'B' and (resid 250 through 273 )	B	E	250 - 273	255 - 278
13	13	chain 'C' and (resid 1 through 22 )	C	J	1 - 22	1 - 22
14	14	chain 'C' and (resid 23 through 48 )	C	J	23 - 48	23 - 48
15	15	chain 'C' and (resid 49 through 110 )	C	J	49 - 110	49 - 110
16	16	chain 'C' and (resid 111 through 163 )	C	J	111 - 163	111 - 163
17	17	chain 'C' and (resid 164 through 219 )	C	J	164 - 219	164 - 219
18	18	chain 'C' and (resid 220 through 273 )	C	J	220 - 273	220 - 273
19	19	chain 'D' and (resid -3 through 62 )	D	N	-3 - 62	1 - 66
20	20	chain 'D' and (resid 63 through 249 )	D	N	63 - 249	67 - 253
21	21	chain 'D' and (resid 250 through 273 )	D	N	250 - 273	254 - 277
22	22	chain 'E' and (resid 1 through 22 )	E	Q	1 - 22	1 - 22
23	23	chain 'E' and (resid 23 through 48 )	E	Q	23 - 48	23 - 48
24	24	chain 'E' and (resid 49 through 163 )	E	Q	49 - 163	49 - 163
25	25	chain 'E' and (resid 164 through 219 )	E	Q	164 - 219	164 - 219
26	26	chain 'E' and (resid 220 through 249 )	E	Q	220 - 249	220 - 249
27	27	chain 'E' and (resid 250 through 273 )	E	Q	250 - 273	250 - 273

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