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- PDB-7r39: Crystal structure of S-adenosyl-L-homocysteine hydrolase from Sul... -

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Open data

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Basic information

Entry

Database: PDB / ID: 7r39

Title

Crystal structure of S-adenosyl-L-homocysteine hydrolase from Sulfolobus acidocaldarius in complex with adenosine

Components

Adenosylhomocysteinase

Keywords

HYDROLASE / Complex / S-adenosyl-L-homocysteine (SAH) / S-adenosyl-L-methionine (SAM)

Function / homology

Function and homology information

L-homocysteine biosynthetic process / adenosylhomocysteinase / adenosylhomocysteinase activity / one-carbon metabolic process / cytoplasm
Similarity search - Function

Biological species

Sulfolobus acidocaldarius (acidophilic)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Saleem-Batcha, R. / Popadic, D. / Andexer, J.N.

Funding support

Germany, 2items

Citation

Journal: Commun Biol / Year: 2024
Title: Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases.
Authors: Koeppl, L.H. / Popadic, D. / Saleem-Batcha, R. / Germer, P. / Andexer, J.N.

History

Deposition	Feb 6, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Feb 15, 2023	Provider: repository / Type: Initial release
Revision 1.1	Feb 7, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2	Sep 18, 2024	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	7r39.cif.gz	1.4 MB	Display	PDBx/mmCIF format
PDB format	pdb7r39.ent.gz	1.1 MB	Display	PDB format
PDBx/mmJSON format	7r39.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7r39_validation.pdf.gz	4.8 MB	Display	wwPDB validaton report
Full document	7r39_full_validation.pdf.gz	4.9 MB	Display
Data in XML	7r39_validation.xml.gz	122.6 KB	Display
Data in CIF	7r39_validation.cif.gz	160.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/r3/7r39 ftp://data.pdbj.org/pub/pdb/validation_reports/r3/7r39	HTTPS FTP

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Related structure data

Related structure data	7r37C 7r38C 7r3aC 8codC 8qnoC 3h9uS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#265 - Jan 2022 Golgi Casein Kinase similarity (1)

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Assembly

Deposited unit

A: Adenosylhomocysteinase

B: Adenosylhomocysteinase

C: Adenosylhomocysteinase

D: Adenosylhomocysteinase

E: Adenosylhomocysteinase

F: Adenosylhomocysteinase

G: Adenosylhomocysteinase

H: Adenosylhomocysteinase

hetero molecules

397 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Adenosylhomocysteinase

C: Adenosylhomocysteinase

hetero molecules

E: Adenosylhomocysteinase

G: Adenosylhomocysteinase

hetero molecules

defined by author&software
199 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

B: Adenosylhomocysteinase

H: Adenosylhomocysteinase

hetero molecules

D: Adenosylhomocysteinase

F: Adenosylhomocysteinase

hetero molecules

defined by author&software
199 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	84.362, 88.364, 138.537
Angle α, β, γ (deg.)	78.863, 74.849, 64.843
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

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Components

#1: Protein	Adenosylhomocysteinase / S-adenosyl-L-homocysteine hydrolase / AdoHcyase Mass: 48699.668 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus acidocaldarius (acidophilic) Strain: ATCC 33909 / DSM 639 / JCM 8929 / NBRC 15157 / NCIMB 11770 Gene: ahcY, Saci_0646 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q4JAZ7, adenosylhomocysteinase
#2: Chemical	ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE Mass: 663.425 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₇O₁₄P₂ / Comment: NAD*YM
#3: Chemical	ChemComp-ADN / ADENOSINE Mass: 267.241 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₁₀H₁₃N₅O₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 284 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.31 Å³/Da / Density % sol: 46.65 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop / Details: 20% (w/v) PEG 3350 with 200 mM ammonium iodide

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 11, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.5→48.86 Å / Num. obs: 107558 / % possible obs: 89.3 % / Redundancy: 2.4 % / B_iso Wilson estimate: 39.32 Å² / CC_1/2: 0.99 / R_merge(I) obs: 0.08 / Net I/σ(I): 5.4
Reflection shell	Resolution: 2.5→2.64 Å / R_merge(I) obs: 0.24 / Num. unique obs: 15731 / CC_1/2: 0.936

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0267	refinement
PHENIX	1.19.1_4122	refinement
XDS		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3H9U

3h9u

Resolution: 2.5→46.16 Å / SU ML: 0.3752 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 36.7492
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2817	5267	5.01 %
R_work	0.2292	99957	-
obs	0.2318	105224	87.4 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 45.02 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→46.16 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	25760	0	504	284	26548

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0048	26688
X-RAY DIFFRACTION	f_angle_d	0.9586	36096
X-RAY DIFFRACTION	f_chiral_restr	0.0559	4136
X-RAY DIFFRACTION	f_plane_restr	0.008	4576
X-RAY DIFFRACTION	f_dihedral_angle_d	19.5244	9864

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 (%)
2.5-2.53	0.419	146	0.3033	2996	X-RAY DIFFRACTION	79
2.53-2.56	0.3716	179	0.3049	3215	X-RAY DIFFRACTION	84.07
2.56-2.59	0.3577	190	0.2925	3595	X-RAY DIFFRACTION	94.11
2.59-2.62	0.3388	169	0.3069	3585	X-RAY DIFFRACTION	94.04
2.62-2.66	0.3896	189	0.3261	3435	X-RAY DIFFRACTION	89.24
2.66-2.69	0.4072	179	0.3319	3189	X-RAY DIFFRACTION	84.88
2.69-2.73	0.3264	177	0.296	3577	X-RAY DIFFRACTION	92.94
2.73-2.77	0.3406	201	0.2798	3507	X-RAY DIFFRACTION	93.4
2.77-2.82	0.3167	177	0.2766	3655	X-RAY DIFFRACTION	94.06
2.82-2.86	0.3354	195	0.2776	3549	X-RAY DIFFRACTION	94.21
2.86-2.91	0.3464	194	0.2662	3597	X-RAY DIFFRACTION	93.49
2.91-2.96	0.3553	195	0.272	3500	X-RAY DIFFRACTION	93.33
2.96-3.02	0.3285	179	0.2658	3630	X-RAY DIFFRACTION	93.45
3.02-3.08	0.3389	207	0.2662	3491	X-RAY DIFFRACTION	93.03
3.08-3.15	0.356	188	0.2601	3529	X-RAY DIFFRACTION	92.49
3.15-3.22	0.3147	178	0.2618	3485	X-RAY DIFFRACTION	91.23
3.22-3.3	0.3377	172	0.2554	3496	X-RAY DIFFRACTION	91.22
3.3-3.39	0.3455	173	0.2562	3365	X-RAY DIFFRACTION	87.79
3.39-3.49	0.3291	119	0.2538	2581	X-RAY DIFFRACTION	68.16
3.49-3.61	0.3221	148	0.2511	3113	X-RAY DIFFRACTION	81.4
3.61-3.73	0.3217	93	0.2471	2191	X-RAY DIFFRACTION	56.55
3.73-3.88	0.3147	153	0.2348	2811	X-RAY DIFFRACTION	74.03
3.88-4.06	0.2796	171	0.2046	2830	X-RAY DIFFRACTION	74.56
4.06-4.27	0.2345	205	0.19	3549	X-RAY DIFFRACTION	93.71
4.27-4.54	0.2279	186	0.1782	3562	X-RAY DIFFRACTION	93.7
4.54-4.89	0.2231	202	0.1746	3539	X-RAY DIFFRACTION	92.74
4.89-5.38	0.2033	199	0.1926	3427	X-RAY DIFFRACTION	90.65
5.38-6.16	0.2737	185	0.2068	3398	X-RAY DIFFRACTION	89.24
6.16-7.76	0.2088	187	0.1914	3157	X-RAY DIFFRACTION	82.92
7.76-46.16	0.1583	131	0.159	3403	X-RAY DIFFRACTION	88.33

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	1.41794565784	1.13355719135	-0.312433579446	1.98848190029	-0.42785047496	2.38422141037	0.0365787023924	-0.0217880749218	0.165540744808	0.340941104247	-0.0807812788518	0.0775015018058	-0.443223185316	-0.235633509153	0.0631157235038	0.417147898493	0.154039026754	-0.00534803309541	0.239242332099	-0.0250225960532	0.299172309405	-27.4082076417	6.11068622958	-73.8768486082
2	2.26933063084	-0.194624540345	0.656459692124	2.27754524938	0.944683903069	2.16130385068	0.0975049380045	-0.265648645613	0.241900219663	0.498665541588	0.139310494067	0.114791017525	-0.185674591108	-0.563602489611	-0.212261101414	0.574088514804	0.131591356937	0.109578852528	0.43355531191	-0.0171905096118	0.278784010638	-29.0029269013	-0.123182341509	-56.5778167892
3	2.04412973161	-0.811132343896	0.0667561407061	1.29821915204	0.147007317556	1.80556079384	-0.11126601719	-0.00741073678915	-0.164481860231	0.303673099896	0.0237220060403	-0.03199144298	-0.168443976067	-0.152568759832	0.0926897105159	0.248295848544	-0.0181102970524	0.0278860847192	0.149460939448	-0.0207061799713	0.194616562249	-10.6610843125	-15.3601458473	-66.162083562
4	3.43184129105	-0.0335848551337	-0.785733574268	3.08380281499	-0.532142574069	3.78990735655	-0.130787801237	-0.400778618237	0.37581401432	0.0605142598447	0.0609287728301	-0.059890846175	-1.19200035898	0.163682397179	0.0397377532427	0.586264277537	-0.0403966882947	-0.134281675814	0.201781294028	-0.00757692556864	0.322361591071	1.01930806	-2.96434891011	-61.2173332714
5	6.75930800212	0.236953264882	1.26196099035	4.56169850506	-0.563300371592	4.93662878967	-0.0484455150225	-0.56838342582	0.0751240990024	0.150182113014	0.160940990349	-0.404615792193	-1.02338783026	0.40569943128	-0.0511233099824	0.517534361697	-0.0512204002677	-0.0239602324274	0.375528719123	-0.106015197861	0.256581507668	4.43930181457	-0.0947782547803	-67.5280789167
6	2.85914636004	0.665735632748	0.333871956835	2.01720328905	0.327178980473	1.33748630867	0.0312885008349	-0.313174156641	-0.104879974157	0.165822685402	0.0240851422887	0.265333692779	0.030564345786	-0.269988568548	-0.0556803598827	0.25650041715	0.0375312808264	0.0381662890705	0.242609100932	0.00435816158525	0.395950423565	-31.1513603663	-9.22638607102	-69.8671559
7	2.03368385895	0.266809650276	0.537109842972	1.25137998542	-0.415298197476	2.77298890262	0.103671446096	-0.181957365592	0.00130053830588	-0.589449060514	0.265615882053	0.652456960258	0.426518986403	-0.932370344784	-0.230001943302	0.427023631249	-0.112061609735	-0.0195113471271	0.395978945833	-0.0482638004473	0.464645204156	-40.1157957582	-38.1529470197	-74.0357238619
8	1.10735590317	0.389945518048	1.16998640124	1.61185002062	-0.0859525961735	2.37479408146	-0.406394498446	-0.0845837967324	0.847698674803	0.588571946158	-0.200062697161	-0.706233066285	-0.911788149998	0.44484323445	0.45789177831	0.582333082367	-0.118049389229	-0.238811025439	0.569777622201	0.0676779964153	0.718520705887	33.461942798	5.03633162831	-20.210293631
9	2.3095162924	-0.616515650359	0.486030406634	2.00829853013	0.333997601706	1.89449162621	0.0601044221523	0.448821795629	0.847267396165	0.126665049076	-0.389368937736	-0.404629563465	-0.636524374363	0.285580200847	0.310261282129	0.672702684006	-0.0387661434532	-0.291080303568	0.615266485581	0.161354470097	0.703500465687	29.7186049705	6.96191200368	-24.7994835387
10	2.28852402222	0.347024251962	-0.482127649893	1.23642376966	-0.224107305003	0.320563125441	-0.024738521672	0.190172494127	0.37832605756	-0.178629293756	-0.091227063416	-0.175755538589	-0.190593047135	0.183952323892	0.122889501515	0.551501544366	-0.0321906725593	-0.0726995013174	0.390048670459	0.073689572822	0.335914746104	22.6560489282	-4.59397663548	-32.6333227149
11	2.39393446773	-0.199746514042	-0.0139910634809	2.39040999727	0.111570704809	2.71711492965	-0.0254694772764	0.130242207724	0.15635898014	-0.000965786889918	-0.0587651205392	-0.0992323677545	-0.238806182612	-0.0598621791706	0.0792268749207	0.578560145701	0.0279342249054	-0.0905836781395	0.242795298548	0.00324102089333	0.253354458027	3.68683111371	-10.2590434253	-34.4158815257
12	4.33023745309	-0.856575566336	0.0463636482095	2.82341859211	-0.331198654312	2.7600597871	0.267596651372	0.378277271739	0.432123693432	-0.23727923729	-0.303491837453	0.292128422609	-0.215047261889	-0.169332124613	0.0729430380236	0.664546178329	0.0607775328545	-0.123733402162	0.273409932124	0.0509507534579	0.379899565875	-1.78804344479	1.76697523739	-30.6346970151
13	3.31621982614	-1.23521619943	0.368369521477	2.5963209758	-0.280617978545	0.299774745531	-0.0248851325036	0.191906303856	0.137645862725	-0.150892506128	-5.48407892885E-5	-0.49906202202	0.00517014474707	0.10565222437	0.0133251668203	0.402708768525	-0.0545072178157	-0.00726715961521	0.373881962893	0.0739583989141	0.338519109871	33.2900422987	-8.69128606832	-25.8651546827
14	2.8117863674	-2.3731195356	-0.263497233315	4.66359536094	1.192844009	2.80988472085	-0.41308391099	0.25604553064	0.000971764051897	0.918430243086	0.576532348707	-0.685480841749	0.943990779751	0.968637964794	-0.131973460031	0.595191176021	0.118170882389	0.0383472957495	0.674132507071	-0.0561341137325	0.474746214704	40.1194035436	-36.5649074366	-15.9891747624
15	1.53836574387	-0.0941300553421	0.00970480180492	1.66162486185	0.055633263772	2.20801705284	-0.0216835177199	0.109639061412	0.335808024695	-0.196987914293	-0.00654820985228	-0.141641773731	-0.603502659764	0.269516937283	0.0323291147974	0.47528816425	-0.135292506104	-0.025645271386	0.260184310304	0.0167103213849	0.344610913881	12.4421010989	2.82268737967	-92.2247184662
16	2.31909248858	-0.07513295716	-0.330322284719	1.8185746739	-0.0960897850018	1.40195610645	0.00605469018916	0.325626397785	0.0404113972116	-0.200156285082	0.112830157612	-0.259568791936	-0.410560812027	0.129594934052	-0.102899194844	0.466738622478	-0.161067675558	0.0430373390762	0.40085298925	0.00234319194666	0.279694700537	12.8495321854	-10.268238714	-105.210458117
17	2.29947536523	0.135205873768	0.104405308381	1.66299306557	0.0979137008441	2.06329063387	-0.0567651746694	-0.0200836596271	-0.133489338319	-0.0272175777544	0.038540667056	0.0281214522836	-0.316075315201	-0.0172248187577	0.0102134446059	0.269333635644	-0.00759850238831	0.0320009095726	0.121106373346	0.011264162951	0.200228242526	-10.7316474065	-19.301298229	-93.9147348896
18	3.62218135945	-0.318372447878	0.110553277214	3.65089936436	0.489964210663	3.73977822708	-9.87940772192E-5	0.570580847808	0.399323700287	-0.47482316594	0.0993244089327	0.129410014079	-1.03146654207	-0.171002664389	-0.0654465086006	0.522944775827	0.00705977593326	-0.009698555368	0.257526108345	0.0527814993922	0.261594804995	-16.6021122992	-6.97040463485	-102.810456317
19	4.64778969941	0.0271036151893	1.05746908716	3.75394961519	0.844269560572	4.01860159911	0.0594482208064	0.0240241222846	-0.0226696153136	-0.161481796032	0.060124962322	0.384421929574	-0.768677943055	-0.57320660144	-0.00276224806621	0.458850106155	0.119605051153	0.0710485538374	0.259558536498	0.0339473278384	0.281546509591	-19.8422536342	-2.4070186101	-97.2273644136
20	3.05093470001	-0.76805039392	0.521112621954	1.85148878351	-0.441400655485	0.568424887657	0.0402954834965	0.346986102894	-0.00654471416107	-0.106195185275	0.0185919073155	-0.282881419861	-0.0326237519008	0.155838375919	-0.058743402699	0.302753294276	-0.0923532856386	0.0263385210785	0.319142162815	-0.010040597354	0.308278333381	15.0831988451	-13.1206321651	-92.9527780965
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56	2.49229125063	-0.768670583214	0.191819649547	0.508857626139	-0.672690682605	0.685005541231	-0.0604242588228	-0.154941579179	0.159154880529	0.193732418625	0.117326854965	0.0664913776423	-0.00591440220407	-0.0517419577543	-0.0154627319061	0.393869397102	-0.00557696316796	-0.0583312610794	0.23137488518	-0.0553968478316	0.254629080569	4.03559408695	-9.29870502129	-1.83997602439
57	1.51877965361	0.885187890252	0.131635313689	1.87835090489	-0.229513655131	1.93124503465	-0.0169360494056	-0.168313803456	0.053210819352	0.143088375936	0.0386964228483	-0.0255096117156	-0.335047511511	-0.0791449892541	-0.00693229584249	0.442543890626	0.074283768019	-0.0410540319837	0.260425807725	-0.0327004002868	0.257098078023	13.6040262135	-14.3455499851	5.36446353049
58	2.31614509885	0.914834336237	0.498711026629	1.8571224035	-0.475525276211	2.99230224764	-0.193972388215	-0.174345724985	0.545672142605	0.510517788398	0.0584709779855	-0.15396330582	-0.899441575373	0.126914502178	0.0951213681131	0.617095367924	-0.0246388258657	-0.151789690959	0.299042557946	-0.0539595386455	0.417839809677	18.7244965242	1.20824962161	5.85021099277
59	3.77416663902	-0.257822546902	0.561547324573	2.60874630258	-0.589989626916	2.06812327783	-0.281980468493	-0.0835572501467	0.497612088906	0.211993009405	0.187967818784	-0.537834645826	-0.645419999052	0.239404999687	0.0668072541917	0.606396713482	-0.0429649433927	-0.144975097328	0.292171413797	-0.0752631616581	0.572487404044	22.5447781701	4.20195680568	-0.431138301714
60	3.59690227591	0.68863349571	-0.31911440145	1.85269673489	0.832032930609	0.668905938761	-0.00715649204931	-0.462323103731	0.166693978331	0.16938683421	-0.0447071391006	0.248770235959	0.0930670743772	-0.214446059661	0.0188424889191	0.438017610696	0.0763139993013	-0.0797819957617	0.409647625555	-0.00239959996695	0.332417989865	-13.2043656145	-4.82537019779	-3.31932989157
61	1.86220981949	-0.138193072489	0.539084316309	3.09248094719	-1.13497933521	2.70003719422	0.192627534835	-0.148906729275	-0.293433570109	-0.19174729223	0.368089612244	0.732688160583	0.498277237601	-0.674328594447	-0.530656867506	0.474652720528	-0.184986921178	-0.0343977863365	0.71242100091	-0.00173974737849	0.468040084415	-22.1208232009	-33.8809116931	-7.58501453773

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 4 through 116 )	A	A	4 - 116	1 - 113
2	2	chain 'A' and (resid 117 through 160 )	A	A	117 - 160	114 - 157
3	3	chain 'A' and (resid 161 through 274 )	A	A	161 - 274	158 - 271
4	4	chain 'A' and (resid 275 through 311 )	A	A	275 - 311	272 - 308
5	5	chain 'A' and (resid 312 through 333 )	A	A	312 - 333	309 - 330
6	6	chain 'A' and (resid 334 through 393 )	A	A	334 - 393	331 - 390
7	7	chain 'A' and (resid 394 through 415 )	A	A	394 - 415	391 - 412
8	8	chain 'B' and (resid 4 through 53 )	B	D	4 - 53	1 - 50
9	9	chain 'B' and (resid 54 through 90 )	B	D	54 - 90	51 - 87
10	10	chain 'B' and (resid 91 through 236 )	B	D	91 - 236	88 - 233
11	11	chain 'B' and (resid 237 through 311 )	B	D	237 - 311	234 - 308
12	12	chain 'B' and (resid 312 through 333 )	B	D	312 - 333	309 - 330
13	13	chain 'B' and (resid 334 through 393 )	B	D	334 - 393	331 - 390
14	14	chain 'B' and (resid 394 through 415 )	B	D	394 - 415	391 - 412
15	15	chain 'C' and (resid 4 through 116 )	C	G	4 - 116	1 - 113
16	16	chain 'C' and (resid 117 through 183 )	C	G	117 - 183	114 - 180
17	17	chain 'C' and (resid 184 through 274 )	C	G	184 - 274	181 - 271
18	18	chain 'C' and (resid 275 through 311 )	C	G	275 - 311	272 - 308
19	19	chain 'C' and (resid 312 through 333 )	C	G	312 - 333	309 - 330
20	20	chain 'C' and (resid 334 through 393 )	C	G	334 - 393	331 - 390
21	21	chain 'C' and (resid 394 through 415 )	C	G	394 - 415	391 - 412
22	22	chain 'D' and (resid 4 through 53 )	D	J	4 - 53	1 - 50
23	23	chain 'D' and (resid 54 through 116 )	D	J	54 - 116	51 - 113
24	24	chain 'D' and (resid 117 through 183 )	D	J	117 - 183	114 - 180
25	25	chain 'D' and (resid 184 through 274 )	D	J	184 - 274	181 - 271
26	26	chain 'D' and (resid 275 through 333 )	D	J	275 - 333	272 - 330
27	27	chain 'D' and (resid 334 through 393 )	D	J	334 - 393	331 - 390
28	28	chain 'D' and (resid 394 through 415 )	D	J	394 - 415	391 - 412
29	29	chain 'E' and (resid 4 through 90 )	E	M	4 - 90	1 - 87
30	30	chain 'E' and (resid 91 through 236 )	E	M	91 - 236	88 - 233
31	31	chain 'E' and (resid 237 through 311 )	E	M	237 - 311	234 - 308
32	32	chain 'E' and (resid 312 through 393 )	E	M	312 - 393	309 - 390
33	33	chain 'E' and (resid 394 through 415 )	E	M	394 - 415	391 - 412
34	34	chain 'F' and (resid 4 through 90 )	F	P	4 - 90	1 - 87
35	35	chain 'F' and (resid 91 through 116 )	F	P	91 - 116	88 - 113
36	36	chain 'F' and (resid 117 through 160 )	F	P	117 - 160	114 - 157
37	37	chain 'F' and (resid 161 through 236 )	F	P	161 - 236	158 - 233
38	38	chain 'F' and (resid 237 through 311 )	F	P	237 - 311	234 - 308
39	39	chain 'F' and (resid 312 through 333 )	F	P	312 - 333	309 - 330
40	40	chain 'F' and (resid 334 through 393 )	F	P	334 - 393	331 - 390
41	41	chain 'F' and (resid 394 through 415 )	F	P	394 - 415	391 - 412
42	42	chain 'G' and (resid 4 through 53 )	G	S	4 - 53	1 - 50
43	43	chain 'G' and (resid 54 through 90 )	G	S	54 - 90	51 - 87
44	44	chain 'G' and (resid 91 through 116 )	G	S	91 - 116	88 - 113
45	45	chain 'G' and (resid 117 through 160 )	G	S	117 - 160	114 - 157
46	46	chain 'G' and (resid 161 through 236 )	G	S	161 - 236	158 - 233
47	47	chain 'G' and (resid 237 through 274 )	G	S	237 - 274	234 - 271
48	48	chain 'G' and (resid 275 through 311 )	G	S	275 - 311	272 - 308
49	49	chain 'G' and (resid 312 through 333 )	G	S	312 - 333	309 - 330
50	50	chain 'G' and (resid 334 through 393 )	G	S	334 - 393	331 - 390
51	51	chain 'G' and (resid 394 through 415 )	G	S	394 - 415	391 - 412
52	52	chain 'H' and (resid 4 through 53 )	H	V	4 - 53	1 - 50
53	53	chain 'H' and (resid 54 through 90 )	H	V	54 - 90	51 - 87
54	54	chain 'H' and (resid 91 through 116 )	H	V	91 - 116	88 - 113
55	55	chain 'H' and (resid 117 through 160 )	H	V	117 - 160	114 - 157
56	56	chain 'H' and (resid 161 through 236 )	H	V	161 - 236	158 - 233
57	57	chain 'H' and (resid 237 through 274 )	H	V	237 - 274	234 - 271
58	58	chain 'H' and (resid 275 through 311 )	H	V	275 - 311	272 - 308
59	59	chain 'H' and (resid 312 through 333 )	H	V	312 - 333	309 - 330
60	60	chain 'H' and (resid 334 through 393 )	H	V	334 - 393	331 - 390
61	61	chain 'H' and (resid 394 through 415 )	H	V	394 - 415	391 - 412

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