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HEADER ELECTRON TRANSFER (IRON-SULFUR PROTEIN) 01-APR-75 1HIP 1HIP 3COMPND OXIDIZED HIGH POTENTIAL IRON PROTEIN (HIPIP). 1HIP 4SOURCE (CHROMATIUM VINOSUM), STRAIN D 1HIPC 1AUTHOR C.W.CARTER *JUNIOR,J.KRAUT,S.T.FREER,N.-H.XUONG, 1HIPB 1AUTHOR 2 R.A.ALDEN,R.G.BARTSCH 1HIPB 2REVDAT 11 15-APR-93 1HIPJ 3 HET FORMUL HETATM 1HIPJ 1REVDAT 10 31-MAY-84 1HIPI 1 REMARK 1HIPI 1REVDAT 9 30-SEP-83 1HIPH 1 REVDAT 1HIPH 1REVDAT 8 13-JUN-83 1HIPG 1 REMARK 1HIPH 2REVDAT 7 07-MAR-83 1HIPF 3 ATOM 1HIPH 3REVDAT 6 31-DEC-80 1HIPE 1 REMARK 1HIPH 4REVDAT 5 07-APR-80 1HIPD 3 ATOM 1HIPH 5REVDAT 4 05-MAR-80 1HIPC 1 SOURCE 1HIPH 6REVDAT 3 01-NOV-77 1HIPB 1 AUTHOR JRNL REMARK FORMUL 1HIPH 7REVDAT 2 03-JAN-77 1HIPA 3 ATOM 1HIPH 8REVDAT 1 22-NOV-76 1HIP 0 1HIPH 9JRNL AUTH C.W.CARTER *JUNIOR,J.KRAUT,S.T.FREER,N.-H.XUONG, 1HIPB 3JRNL AUTH 2 R.A.ALDEN,R.G.BARTSCH 1HIPB 4JRNL TITL TWO-ANGSTROM CRYSTAL STRUCTURE OF OXIDIZED 1HIPB 5JRNL TITL 2 CHROMATIUM HIGH POTENTIAL IRON PROTEIN 1HIPB 6JRNL REF J.BIOL.CHEM. V. 249 4212 1974 1HIPB 7JRNL REFN ASTM JBCHA3 US ISSN 0021-9258 071 1HIPB 8REMARK 1 1HIPB 9REMARK 1 REFERENCE 1 1HIPB 10REMARK 1 AUTH S.T.FREER,R.A.ALDEN,C.W.CARTER *JUNIOR,J.KRAUT 1HIPB 11REMARK 1 TITL CRYSTALLOGRAPHIC STRUCTURE REFINEMENT OF 1HIPB 12REMARK 1 TITL 2 CHROMATIUM HIGH POTENTIAL IRON PROTEIN AT 1HIPB 13REMARK 1 TITL 3 TWO ANGSTROMS RESOLUTION 1HIPB 14REMARK 1 REF J.BIOL.CHEM. V. 250 46 1975 1HIPB 15REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 1HIPB 16REMARK 1 REFERENCE 2 1HIPB 17REMARK 1 AUTH C.W.CARTER *JUNIOR,J.KRAUT,S.T.FREER,R.A.ALDEN 1HIPB 18REMARK 1 TITL COMPARISON OF OXIDATION-REDUCTION SITE GEOMETRIES 1HIPB 19REMARK 1 TITL 2 IN OXIDIZED AND REDUCED CHROMATIUM HIGH POTENTIAL 1HIPB 20REMARK 1 TITL 3 IRON PROTEIN AND OXIDIZED PEPTOCOCCUS AEROGENES 1HIPB 21REMARK 1 TITL 4 FERREDOXIN 1HIPB 22REMARK 1 REF J.BIOL.CHEM. V. 249 6339 1974 1HIPB 23REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 1HIPB 24REMARK 1 REFERENCE 3 1HIPB 25REMARK 1 AUTH C.W.CARTER *JUNIOR,S.T.FREER,N.H.XUONG, 1HIPG 1REMARK 1 AUTH 2 R.A.ALDEN,J.KRAUT 1HIPB 27REMARK 1 TITL STRUCTURE OF THE IRON-SULFUR CLUSTER IN THE 1HIPB 28REMARK 1 TITL 2 CHROMATIUM IRON PROTEIN AT 2.25 ANGSTROMS 1HIPB 29REMARK 1 TITL 3 RESOLUTION 1HIPB 30REMARK 1 REF COLD SPRING HARBOR SYMP. V. 36 381 1972 1HIPB 31REMARK 1 REF 2 QUANT.BIOL. 1HIPB 32REMARK 1 REFN ASTM CSHSAZ US ISSN 0091-7451 421 1HIPI 2REMARK 1 REFERENCE 4 1HIPB 34REMARK 1 EDIT R.J.FELDMANN 1HIPB 35REMARK 1 REF ATLAS OF MACROMOLECULAR 142 1976 1HIPB 36REMARK 1 REF 2 STRUCTURE ON MICROFICHE 1HIPB 37REMARK 1 PUBL TRACOR JITCO INC.,ROCKVILLE,MD. 1HIPB 38REMARK 1 REFN ISBN 0-917934-01-6 434 1HIPB 39REMARK 1 REFERENCE 5 1HIPB 40REMARK 1 EDIT M.O.DAYHOFF 1HIPB 41REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 63 1976 1HIPB 42REMARK 1 REF 2 AND STRUCTURE,SUPPLEMENT 2 1HIPB 43REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, 1HIPB 44REMARK 1 PUBL 2 SILVER SPRING,MD. 1HIPB 45REMARK 1 REFN ISBN 0-912466-05-7 435 1HIPB 46REMARK 2 1HIP 27REMARK 2 RESOLUTION. 2.0 ANGSTROMS. 1HIPE 1REMARK 3 1HIP 29REMARK 3 REFINEMENT. THE COORDINATES HAVE BEEN REFINED BY DIFFERENCE 1HIP 30REMARK 3 FOURIER METHODS TO AN R FACTOR OF 0.24, WITH BOND 1HIP 31REMARK 3 DISTANCES AND ANGLES CONSTRAINED TO THEIR EXPECTED VALUES. 1HIP 32REMARK 4 1HIP 33REMARK 4 RESIDUE SEQUENCE IDENTIFIER 86 WAS ASSIGNED TO THE 1HIP 34REMARK 4 IRON/SULFUR CLUSTER BY THE DEPOSITOR. 1HIP 35REMARK 5 1HIP 36REMARK 5 A TOTAL OF SEVEN ATOMS COULD NOT BE LOCATED IN THE ELECTRON 1HIP 37REMARK 5 DENSITY MAP FOR THIS STRUCTURE AND THEIR COORDINATES ARE 1HIP 38REMARK 5 OMITTED FROM THIS LIST. THESE ATOMS ARE - CD,CE AND NZ OF 1HIP 39REMARK 5 LYS 18, OG OF SER 26,CB OF ALA 32 AND CG AND NE2 OF GLN 50. 1HIP 40REMARK 6 1HIPA 1REMARK 6 CORRECTION. IN RESIDUE TYR 19, ATOM OH WAS MISNAMED AS O, 1HIPA 2REMARK 6 WHICH NAME THEREFORE OCCURRED TWICE. IT HAS BEEN RENAMED 1HIPA 3REMARK 6 AND RESTORED TO ITS CORRECT POSITION AFTER CZ, THUS 1HIPA 4REMARK 6 NECESSITATING RENUMBERING OF THE INTERVENING ATOMS O 1HIPA 5REMARK 6 THROUGH CZ. (OH FORMERLY HAD SERIAL NUMBER 120 AND NOW 1HIPA 6REMARK 6 HAS 128.) BNL 03-JAN-77. 1HIPA 7REMARK 7 1HIPB 47REMARK 7 CORRECTION. REFORMAT HEADER INFORMATION TO MEET NEW 1HIPB 48REMARK 7 SPECIFICATIONS. 1HIPB 49REMARK 7 ADD FORMUL RECORDS. 1HIPB 50REMARK 7 01-NOV-77. 1HIPB 51REMARK 8 1HIPC 2REMARK 8 CORRECTION. STANDARDIZE FORMAT OF SOURCE RECORD. 1HIPC 3REMARK 8 05-MAR-80. 1HIPC 4REMARK 9 1HIPD 1REMARK 9 CORRECTION. STANDARDIZE NOMENCLATURE TO FOLLOW IUPAC-IUB 1HIPD 2REMARK 9 RECOMMENDATIONS. INTERCHANGE CD1 AND CD2 FOR LEUCINE 1HIPD 3REMARK 9 17. 07-APR-80. 1HIPD 4REMARK 10 1HIPE 2REMARK 10 CORRECTION. STANDARDIZE FORMAT OF REMARK 2. 31-DEC-80. 1HIPE 3REMARK 11 1HIPF 1REMARK 11 CORRECTION. CORRECT NAME OF ATOM 624 FROM O TO OXT. 1HIPF 2REMARK 11 07-MAR-83. 1HIPF 3REMARK 12 1HIPG 2REMARK 12 CORRECTION. CORRECT TYPESETTING CODE. 13-JUN-83. 1HIPG 3REMARK 13 1HIPH 10REMARK 13 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83. 1HIPH 11REMARK 14 1HIPI 3REMARK 14 CORRECTION. CORRECT ISSN FOR REFERENCE 3. 31-MAY-84. 1HIPI 4REMARK 15 1HIPJ 2REMARK 15 CORRECTION. STANDARDIZE RESIDUE NAME FOR IRON-SULFUR 1HIPJ 3REMARK 15 CLUSTER. 15-APR-93. 1HIPJ 4SEQRES 1 85 SER ALA PRO ALA ASN ALA VAL ALA ALA ASP ASN ALA THR 1HIP 41SEQRES 2 85 ALA ILE ALA LEU LYS TYR ASN GLN ASP ALA THR LYS SER 1HIP 42SEQRES 3 85 GLU ARG VAL ALA ALA ALA ARG PRO GLY LEU PRO PRO GLU 1HIP 43SEQRES 4 85 GLU GLN HIS CYS ALA ASP CYS GLN PHE MET GLN ALA ASP 1HIP 44SEQRES 5 85 ALA ALA GLY ALA THR ASP GLU TRP LYS GLY CYS GLN LEU 1HIP 45SEQRES 6 85 PHE PRO GLY LYS LEU ILE ASN VAL ASN GLY TRP CYS ALA 1HIP 46SEQRES 7 85 SER TRP THR LEU LYS ALA GLY 1HIP 47HET FS4 86 8 IRON/SULFUR CLUSTER 1HIPJ 5FORMUL 2 FS4 FE4 S4 1HIPJ 6FORMUL 3 HOH *144(H2 O1) 1HIPB 53HELIX 1 H1 ALA 12 ALA 16 1 1HIP 49HELIX 2 H2 ARG 28 ALA 31 1 1HIP 50SHEET 1 S1 3 PHE 48 GLN 50 0 1HIP 51SHEET 2 S1 3 GLU 59 GLN 64 -1 N GLN 50 O GLY 62 1HIP 52SHEET 3 S1 3 LYS 69 VAL 73 -1 N LYS 61 O ILE 71 1HIP 53CRYST1 42.700 41.860 38.080 90.00 90.00 90.00 P 21 21 21 4 1HIP 54ORIGX1 1.000000 0.000000 0.000000 0.000000 1HIP 55ORIGX2 0.000000 1.000000 0.000000 0.000000 1HIP 56ORIGX3 0.000000 0.000000 1.000000 0.000000 1HIP 57SCALE1 .023419 0.000000 0.000000 .168200 1HIP 58SCALE2 0.000000 .023889 0.000000 -.331800 1HIP 59SCALE3 0.000000 0.000000 .026261 .107400 1HIP 60ATOM 1 N SER 1 18.200 12.220 32.160 1.00 0.00 1HIP 61ATOM 2 CA SER 1 18.330 10.860 31.630 1.00 0.00 1HIP 62ATOM 3 C SER 1 17.540 10.740 30.320 1.00 0.00 1HIP 63ATOM 4 O SER 1 16.380 11.200 30.230 1.00 0.00 1HIP 64ATOM 5 CB SER 1 17.820 9.860 32.640 1.00 0.00 1HIP 65ATOM 6 OG SER 1 17.920 8.530 32.150 1.00 0.00 1HIP 66ATOM 7 N ALA 2 18.160 10.130 29.330 1.00 0.00 1HIP 67ATOM 8 CA ALA 2 17.510 9.950 28.020 1.00 0.00 1HIP 68ATOM 9 C ALA 2 16.590 8.740 28.070 1.00 0.00 1HIP 69ATOM 10 O ALA 2 16.950 7.690 28.620 1.00 0.00 1HIP 70ATOM 11 CB ALA 2 18.580 9.650 26.950 1.00 0.00 1HIP 71ATOM 12 N PRO 3 15.410 8.890 27.480 1.00 0.00 1HIP 72ATOM 13 CA PRO 3 14.430 7.800 27.450 1.00 0.00 1HIP 73ATOM 14 C PRO 3 15.090 6.530 26.910 1.00 0.00 1HIP 74ATOM 15 O PRO 3 16.130 6.590 26.220 1.00 0.00 1HIP 75ATOM 16 CB PRO 3 13.320 8.310 26.580 1.00 0.00 1HIP 76ATOM 17 CG PRO 3 13.960 9.340 25.670 1.00 0.00 1HIP 77ATOM 18 CD PRO 3 15.090 9.930 26.510 1.00 0.00 1HIP 78ATOM 19 N ALA 4 14.490 5.400 27.230 1.00 0.00 1HIP 79ATOM 20 CA ALA 4 15.030 4.110 26.780 1.00 0.00 1HIP 80ATOM 21 C ALA 4 14.670 3.890 25.310 1.00 0.00 1HIP 81ATOM 22 O ALA 4 15.290 3.060 24.620 1.00 0.00 1HIP 82ATOM 23 CB ALA 4 14.350 2.980 27.570 1.00 0.00 1HIP 83ATOM 24 N ASN 5 13.680 4.640 24.850 1.00 0.00 1HIP 84ATOM 25 CA ASN 5 13.240 4.520 23.450 1.00 0.00 1HIP 85ATOM 26 C ASN 5 13.890 5.620 22.600 1.00 0.00 1HIP 86ATOM 27 O ASN 5 13.360 6.010 21.550 1.00 0.00 1HIP 87ATOM 28 CB ASN 5 11.690 4.610 23.380 1.00 0.00 1HIP 88ATOM 29 CG ASN 5 11.140 5.530 24.440 1.00 0.00 1HIP 89ATOM 30 OD1 ASN 5 10.200 5.270 25.180 1.00 0.00 1HIP 90ATOM 31 ND2 ASN 5 11.830 6.720 24.610 1.00 0.00 1HIP 91ATOM 32 N ALA 6 15.020 6.100 23.080 1.00 0.00 1HIP 92ATOM 33 CA ALA 6 15.740 7.170 22.370 1.00 0.00 1HIP 93
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