PDB-5dtk: Fragments bound to the OXA-48 beta-lactamase: Compound 17

ID or keywords:

Entry

Database: PDB / ID: 5dtk

Title

Fragments bound to the OXA-48 beta-lactamase: Compound 17

Components

Beta-lactamase

Keywords

HYDROLASE /

inhibitor /

complex / fragment /

lactamase

Function / homology

Function and homology information

penicillin binding / antibiotic catabolic process /

beta-lactamase activity /

beta-lactamase / response to antibiotic
Similarity search - Function

Biological species

Klebsiella pneumoniae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.60000241571 Å

Authors

Lund, B.A. / Christopeit, T. / Leiros, H.-K.S.

Citation

Journal: J.Med.Chem. / Year: 2016
Title: Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
Authors: Lund, B.A. / Christopeit, T. / Guttormsen, Y. / Bayer, A. / Leiros, H.K.

History

Deposition	Sep 18, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	May 25, 2016	Provider: repository / Type: Initial release
Revision 1.1	Jun 22, 2016	Group: Database references
Revision 1.2	Jan 10, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5dtk.cif.gz	677.8 KB	Display	PDBx/mmCIF format
PDB format	pdb5dtk.ent.gz	515.5 KB	Display	PDB format
PDBx/mmJSON format	5dtk.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/dt/5dtk ftp://data.pdbj.org/pub/pdb/validation_reports/dt/5dtk	HTTPS FTP

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Related structure data

Related structure data	5dtsC 5dttC 5dvaC 3hbrS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	6p96-d 5oe2-1 5dts-4 5dva-2 4s2k-1 5dts-2 7ass-2 6v1o-2 4s2k-2 5haq-d 6q5b-1 4s2j-1 5oft-d 6uvk-2 5oe2-2 1389 6v1o-1 4s2p-d 5oe0-d 3hbr-1 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

C: citing same article (ref.)

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Beta-lactamase

B: Beta-lactamase

C: Beta-lactamase

D: Beta-lactamase

hetero molecules

124 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Beta-lactamase

D: Beta-lactamase

hetero molecules

defined by author&software
61.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Beta-lactamase

hetero molecules

C: Beta-lactamase

hetero molecules

defined by author&software
62 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Beta-lactamase

hetero molecules

B: Beta-lactamase

hetero molecules

defined by author&software
62 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	45.523, 124.310, 108.742
Angle α, β, γ (deg.)	90.000, 98.263, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb

#1: Protein	Beta-lactamase / Mass: 30439.725 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Klebsiella pneumoniae (bacteria) / Gene: bla OXA-48, blaOXA-48, KPE71T_00045 / Plasmid: pDEST17 / Production host: Escherichia coli (E. coli) / References: UniProt: Q6XEC0, beta-lactamase
#2: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Chemical	ChemComp-5F3 / 3,5-di(pyridin-4-yl)benzoic acid Mass: 276.289 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₇H₁₂N₂O₂
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 1279 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.5 Å³/Da / Density % sol: 50.82 % / Description: Plate-like appearance, but some thickness.
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 0.1M HEPES pH 7.5, 8-12% PEG8000, 4% butanol / Temp details: room temperature

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.9184 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 28, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9184 Å / Relative weight: 1
Reflection	Resolution: 1.478→49.38 Å / Num. obs: 195258 / % possible obs: 98.02 % / Redundancy: 3.3 % / B_iso Wilson estimate: 16.0316230801 Å² / R_merge(I) obs: 0.08237 / Net I/σ(I): 9.67
Reflection shell	Resolution: 1.478→1.531 Å / Redundancy: 2.2 % / R_merge(I) obs: 1.033 / Mean I/σ(I) obs: 0.82 / % possible all: 85.02

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Processing

Software

Name	Version	Classification
PHENIX	1.10.1_2155	refinement
XDS		data reduction
PHASER	2.5.6	phasing
XDS		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3HBR

3hbr

Resolution: 1.60000241571→49.3793661959 Å / SU ML: 0.154609913625 / Cross valid method: FREE R-VALUE / σ(F): 1.35792690821 / Phase error: 17.9583134376
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.172474668469	1687	1.07524140349 %	Random selection
R_work	0.145573684921	155208	-	-
obs	0.145862928729	156895	99.7799556095 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 26.0672524111 Å²

Refinement step

Cycle: LAST / Resolution: 1.60000241571→49.3793661959 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7944	0	138	1279	9361

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.00844393936441	8457
X-RAY DIFFRACTION	f_angle_d	0.949369669528	11456
X-RAY DIFFRACTION	f_chiral_restr	0.0579356964116	1189
X-RAY DIFFRACTION	f_plane_restr	0.00651653492992	1568
X-RAY DIFFRACTION	f_dihedral_angle_d	23.5010754664	3141

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 (%)
1.6-1.6471	0.322030110532	141	0.278456419957	12937	X-RAY DIFFRACTION	99.7254842153
1.6471-1.7003	0.241060486004	140	0.244764156075	12883	X-RAY DIFFRACTION	99.7778118296
1.7003-1.761	0.236345978984	140	0.211936093313	12883	X-RAY DIFFRACTION	99.5794463985
1.761-1.8315	0.234056009459	140	0.196058748265	12898	X-RAY DIFFRACTION	99.778066886
1.8315-1.9149	0.193495979964	140	0.169345927046	12893	X-RAY DIFFRACTION	99.8467785183
1.9149-2.0159	0.15979582995	140	0.148841610089	12897	X-RAY DIFFRACTION	99.8238897397
2.0159-2.1422	0.15797991237	141	0.133826901995	12970	X-RAY DIFFRACTION	99.7717068716
2.1422-2.3075	0.151218734852	141	0.125705282755	12900	X-RAY DIFFRACTION	99.8315853939
2.3075-2.5398	0.13477084961	141	0.123364616472	12965	X-RAY DIFFRACTION	99.9085226406
2.5398-2.9072	0.167280177682	140	0.125585748765	12924	X-RAY DIFFRACTION	99.85477337
2.9072-3.6626	0.175188561009	141	0.128856298588	12998	X-RAY DIFFRACTION	99.9011557178
3.6626-49.4029	0.152628556465	142	0.133110980872	13060	X-RAY DIFFRACTION	99.5625942685

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	4.77266133711	0.584189761321	-2.72192508902	2.73568934371	0.108428612963	3.85325731653	0.167626722112	-0.21005925841	0.272999510506	0.214248388379	-0.0494647453251	-0.11003284544	-0.303284071923	0.299172246146	-0.135889213519	0.155869909468	-0.0388921574786	-0.0230633873984	0.139566367183	-0.0223777605067	0.149482716145	9.47833341539	52.6371089231	164.032472669
2	0.477365785169	0.177402618694	-0.15960565735	0.995613470677	-0.00542194339853	1.10808311692	-0.0237737365846	0.0461455283953	-0.00224019526883	-0.0963460164345	-0.00253895838676	0.0935720330022	0.0571936339913	-0.0678454463495	0.0354906977422	0.145486736251	-0.00550375963736	-0.00178173986776	0.141737560584	-0.00231269155359	0.132837076915	-4.60335477064	37.2685559987	145.736802261
3	0.575109990815	0.390844884311	0.034874202169	1.79176869787	-0.503097057845	1.21408990867	0.0253366018047	-0.0297423852028	0.0447419740016	0.0983393081596	-0.000734710329937	0.185430323279	-0.0610890462412	-0.108651787585	-0.0117214486659	0.10988071403	0.00812921873475	0.0212345949953	0.130421969886	-0.00751832538691	0.140088713075	-6.8834036704	41.676618364	156.738508689
4	1.34340902065	0.592998027175	-0.754702917399	2.39317469009	-0.69850994145	2.17228233039	0.0624636214041	-0.0765452552469	-0.0207300606933	0.106548778257	-0.0773260919064	-0.136533549984	-0.00504304151795	0.199980241403	0.0141636844432	0.0830078389985	0.00136375929528	-0.00117519069369	0.107963576232	-0.00234077863351	0.106245920709	8.55112813919	42.1227961566	158.444699791
5	6.4240196465	-0.834551449483	-2.21831098625	3.55514225251	-0.0473457013855	3.76806621041	0.123379811986	0.168189334641	0.338162839917	-0.32796017569	-0.0332869187278	0.364357728813	-0.185764030723	-0.396880447074	-0.127733704518	0.199435396679	0.0301968107163	-0.0648593984496	0.158325377485	-0.000920195417318	0.206762118483	-5.43398884402	21.8711195184	104.158314927
6	1.95781833642	-1.43248229112	0.193177406468	2.81552806459	-0.20242720434	1.10708427549	-0.0167117674221	-0.0635978245056	0.00270875937151	0.248640465343	-0.00612636644189	0.0875004681441	0.0438123664403	-0.0248714207065	0.0390852056443	0.209800320826	-0.0166163190888	-0.00463146852576	0.124827479881	-0.025322812537	0.120295343428	4.28652323972	16.7474272438	119.389217742
7	2.62060336471	0.140188559277	-1.48180994403	0.934185959471	-0.64142446846	2.46215546158	-0.15067905412	-0.250485947144	0.11150529455	0.709120006374	0.0900059039855	0.149260968649	0.432695504375	-0.192480616302	0.0926188514785	0.469861934763	0.00384569314834	0.0574267754088	0.235487408014	0.00264753368434	0.163933751044	5.91017100485	-0.923555923279	129.863054958
8	0.625399797552	-0.391895592628	-0.0225373870097	1.71462765754	0.524662313149	1.33616854671	-0.0255060629206	-0.136334887251	-0.0273920288751	0.550834821019	-0.0105150062544	-0.019695891192	0.17704265848	0.0249723616451	0.0520811155891	0.306883068321	0.00826266133501	0.000506428084361	0.151116510873	-0.00398713730692	0.121963729904	7.43541134998	9.69445734935	126.753213519
9	0.793374249947	-0.348819057208	-0.0651156685781	1.92267243752	0.630677036162	1.16640077867	0.0253693906645	-0.00744628093163	0.0179475366786	0.0612722411398	-0.0623821104526	0.109141845453	0.0143596991351	-0.0946313338139	0.0446209365286	0.161813018047	-0.0162243398866	-0.00334938832697	0.1104576458	-0.00789022100951	0.114748953445	3.07279255867	12.3324139125	113.473300587
10	2.768589378	-0.366597714805	-1.27205091915	3.21414343887	-0.483000202063	7.95805957126	0.0647343786756	0.243689318722	-0.244981519647	-0.243717882722	-0.134444596923	0.443668989047	0.333697984993	-0.640517929073	0.0775650001297	0.152551416706	-0.0236923015167	-0.0461290973715	0.212198827591	-0.0715094033163	0.287016226771	-10.1910151667	11.7546050273	106.921287009
11	3.85123218573	-1.58786029486	1.38882935625	4.36406390104	-1.04046866142	4.55520185705	0.0251760733445	0.041999352169	-0.129782084208	-0.362829754595	-0.0192324628275	-0.503341011933	0.236152517606	0.243436227549	-0.0310358396906	0.202714675696	0.0224264592641	0.0560879794267	0.110776266879	-0.0202827254263	0.229520439562	16.2174403353	35.9423098248	107.126238273
12	1.62662650597	-1.30815231967	-0.235018345962	2.83844513517	-0.0418410429588	0.983323699647	0.0265013930613	-0.00561023288096	-0.0541588960177	-0.0516377416926	-0.0263231213801	0.0399695856509	0.0541458060859	0.00927800977011	0.00625333984881	0.155666893737	-0.00864954562062	-0.00646216237381	0.111636181856	-0.00624442068979	0.118425748607	1.75937446047	43.4577537811	116.454052859
13	1.26915382855	0.770084811317	0.720917433689	0.771205975855	-0.228714435618	3.95221036919	0.0414086154496	-0.0694747478408	-0.02087405709	0.184693969726	-0.0123819558762	0.0705330719835	-0.324778749216	0.126987025271	0.00444686900775	0.249607196202	0.0291967414881	0.0202020227804	0.153572538525	-0.0166464633702	0.164953514166	-1.28952975355	61.7553743528	125.569648299
14	2.88619665318	-1.98000279375	-2.05964438526	3.67962993328	-1.63040628101	5.58631333675	0.0391538237129	-0.177567602176	-0.0175064630423	0.165444875868	-0.185849774012	-0.0792653456633	-0.200732908325	0.294357694254	0.153590064041	0.181395466787	-0.0178089981983	-0.0164119312753	0.135303356366	0.00459101876655	0.119883980307	6.01528194408	59.7779112346	124.135396071
15	4.68856729491	1.46076100445	1.84015184161	4.32265695756	2.84229846695	4.76622147957	0.0111825943424	-0.101882301551	-0.0412914303315	0.0684327426813	-0.0386930205306	0.306917394157	-0.0865666565699	-0.293413124956	0.0277539150919	0.147206277034	0.00890244455694	0.0187161958363	0.1202280694	0.0364958506695	0.150291819665	-8.56886490029	50.0484112193	121.423196237
16	0.597592134897	0.119142401017	-0.225425426509	1.74832449376	-0.79076619963	1.03474785163	-0.0174238166969	0.0431101257714	-0.0521126528093	-0.178707386044	0.0257484756985	0.125180396479	0.114377988452	-0.08121807653	-0.00474972986088	0.179474010553	0.000172395042404	-0.0158049948688	0.1245385615	-0.015195955481	0.133636005687	-2.16943588027	45.7512204092	112.735208364
17	0.833082166003	0.151873631935	0.000994746647613	2.76646918872	-1.41182083447	2.28250652402	0.00364948896492	0.00258442701413	-0.00706903749976	-0.130867223275	-0.065645836976	-0.123078849053	0.110276296178	0.0757559233179	0.0579221547719	0.148094098556	0.0110571651524	0.00851404585042	0.109687102932	-0.00705124657053	0.133706855265	11.8663232123	46.9931964646	112.832247228
18	2.07306599816	0.120234183956	-0.487708904765	3.53707844078	-1.26451191785	4.24070202999	-0.00925492190526	0.121680661236	-0.0143455936509	-0.249908720842	-0.116211109118	-0.418753147032	0.0916003552097	0.492919502917	0.200490378421	0.144795787717	0.0206391605214	0.0134826412947	0.174245946031	0.0326289278046	0.241022231816	20.8438695545	45.2748756163	111.847238793
19	6.24047894636	0.962569226847	2.95261488711	3.77992749681	1.60474235902	5.8536000531	0.00989647573126	0.180634596309	-0.362648016678	-0.0536932408206	-0.0211926074963	0.0719914395831	0.268256459282	0.257851570958	-0.0306061868117	0.209297591255	0.0311273267911	0.0407774143536	0.132759816184	0.0377781030106	0.290147730975	15.3021698407	2.72415174036	162.098040089
20	7.30173476224	-2.15171990047	4.85536823886	4.06392233335	-1.59079189489	6.80512240903	-0.00359093999	0.0682431407027	-0.225336492916	-0.160199792224	-0.0379972690575	-0.0991805483784	0.170877280242	0.0915564552945	-0.0234080588298	0.133073960154	-0.00228804560925	0.0594320082674	0.0762980961632	0.00145617570919	0.134051439925	8.15821360141	5.32783627187	160.175259397
21	2.10409586212	-0.781122344404	-0.366124954974	2.15523140573	-0.322903278249	1.6444083034	-0.122283535613	-0.0625846549577	-0.118506693709	0.326724394934	-0.00100956952907	-0.0274219474814	0.0870798160532	0.0417573277992	0.136629572358	0.207510375512	-0.0353797803799	0.0347147159924	0.116420778607	0.0164690855315	0.127275486128	-1.68472256731	9.97692300517	173.297018375
22	4.17720149959	0.173605567456	2.43156791749	0.543373063867	0.730864290083	3.92129679317	-0.0456431566276	-0.329472195753	-0.0252423294942	0.534133833509	0.0411394659127	-0.0164573016411	-0.399532455594	0.0538604457743	0.0302956476032	0.454174539128	-0.015411400692	0.0304038876212	0.189492605506	0.000325373712458	0.156326346759	-4.91627861868	27.8627986496	183.13862938
23	3.56466625449	-1.90551242363	-0.884892106669	3.0033269696	-0.318936770448	4.13778216573	-0.00310253391331	-0.138520065428	0.154616166454	0.487892504473	-0.107691575003	-0.177556304563	-0.19874569235	0.145071015004	0.116424560884	0.287017848902	-0.038057087892	-0.00657362249378	0.131116939079	-0.000875132845866	0.123433033387	1.93485185763	26.4676773488	179.836839085
24	2.7071609341	1.02533798912	0.459731153663	2.7762986441	1.35554396116	2.84992466175	0.0829799150705	-0.114932707563	0.0339670008688	0.458540293482	-0.0629877694562	0.262797772033	-0.0490307962163	-0.252835406238	-0.0189964048027	0.268336496184	-0.0113013359258	0.0750636829365	0.144118382829	0.0280738826294	0.141192083696	-11.7439578263	15.1670728115	180.071217989
25	0.618393062611	0.051607019909	-0.153059886843	1.64664270785	-0.686053059046	1.34574070265	0.00177122946268	-0.0602507293169	-0.0467059778292	0.122254636023	-0.0744637272673	-0.0416324465655	0.0734785905298	0.0436016244997	0.0743248933548	0.156601121434	-0.0222545086752	0.0207898564047	0.097741222421	0.00275273632243	0.0998813208292	-0.0229490420541	13.3360911544	169.282781969
26	2.54907953198	-0.140250080477	-0.456300514489	3.72653224075	0.538362464373	6.93379951432	0.0963142641409	0.0447254728629	0.0397707913608	0.0846560133088	-0.0309908001945	-0.319409302766	-0.144230265575	0.360680216729	-0.0631333076712	0.148165266591	-0.0167482753132	-0.00143007083583	0.180002725383	0.0624034014201	0.248613872534	15.7465608926	13.9667665866	164.916714931

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 23 through 58 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 59 through 155 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 156 through 194 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 195 through 265 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 23 through 58 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 59 through 82 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 83 through 102 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 103 through 155 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 156 through 243 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 244 through 265 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 23 through 58 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 59 through 82 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 83 through 102 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 103 through 119 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 120 through 141 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 142 through 194 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 195 through 243 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 244 through 265 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 23 through 38 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 39 through 58 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 59 through 82 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 83 through 102 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 103 through 119 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 120 through 141 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 142 through 243 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 244 through 265 )

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